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Acylaminobenzoesäure und Derivate

Organische Verbindungen, die aus einer Benzoesäure mit einer Acylaminosubstitution bestehen; eine Acylaminosubstitution besteht aus einem Kohlenstoffatom, das mit einer Carbonylgruppe verbunden ist und mit einem Stickstoffatom verbunden ist, das mit einem Wasserstoffatom und einer organischen Gruppe verbunden ist.
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1

Methyl2-(acetylamino)-3-Nitrobenzoat, 97 %, Thermo Scientific™

CAS: 95067-27-9 Summenformel: C10H10N2O5 Molekulargewicht (g/mol): 238.20 MDL-Nummer: MFCD00157613 InChI-Schlüssel: PHFRWNCHBPVTJN-UHFFFAOYSA-N Synonym: methyl 2-acetylamino-3-nitrobenzoate,methyl 2-acetamido-3-nitro-benzoate,2-acetylamino-3-nitro-benzoic acid methyl ester,2-acetamido-3-nitrobenzoic acid methyl ester,methyl-2-acetylamino-3-nitrobenzoate,methyl2-acetylamino-3-nitrobenzoate,2-acetylamino-3-nitrobenzoic acid methyl ester PubChem CID: 2782278 IUPAC-Name: Methyl-2-acetamido-3-nitrobenzoat SMILES: COC(=O)C1=C(NC(C)=O)C(=CC=C1)[N+]([O-])=O

InChI-Schlüssel PHFRWNCHBPVTJN-UHFFFAOYSA-N
IUPAC-Name Methyl-2-acetamido-3-nitrobenzoat
PubChem CID 2782278
CAS 95067-27-9
MDL-Nummer MFCD00157613
Molekulargewicht (g/mol) 238.20
SMILES COC(=O)C1=C(NC(C)=O)C(=CC=C1)[N+]([O-])=O
Synonym methyl 2-acetylamino-3-nitrobenzoate,methyl 2-acetamido-3-nitro-benzoate,2-acetylamino-3-nitro-benzoic acid methyl ester,2-acetamido-3-nitrobenzoic acid methyl ester,methyl-2-acetylamino-3-nitrobenzoate,methyl2-acetylamino-3-nitrobenzoate,2-acetylamino-3-nitrobenzoic acid methyl ester
Summenformel C10H10N2O5
3

3-Acetamidobenzoesäure, 98 %, Thermo Scientific Chemicals

CAS: 587-48-4 Summenformel: C9H9NO3 Molekulargewicht (g/mol): 179.175 MDL-Nummer: MFCD00013983 InChI-Schlüssel: RGDPZMQZWZMONQ-UHFFFAOYSA-N Synonym: 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide PubChem CID: 48847 IUPAC-Name: 3-acetamidobenzoesäure SMILES: CC(=O)NC1=CC=CC(=C1)C(=O)O

InChI-Schlüssel RGDPZMQZWZMONQ-UHFFFAOYSA-N
IUPAC-Name 3-acetamidobenzoesäure
PubChem CID 48847
CAS 587-48-4
MDL-Nummer MFCD00013983
Molekulargewicht (g/mol) 179.175
SMILES CC(=O)NC1=CC=CC(=C1)C(=O)O
Synonym 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide
Summenformel C9H9NO3
4

N-Succinimidyl-3-maleimidobenzoat, 95 %, Thermo Scientific Chemicals

CAS: 58626-38-3 Summenformel: C15H10N2O6 Molekulargewicht (g/mol): 314.253 MDL-Nummer: MFCD00005514 InChI-Schlüssel: LLXVXPPXELIDGQ-UHFFFAOYSA-N Synonym: 3-maleimidobenzoic acid n-hydroxysuccinimide ester,n-succinimidyl 3-maleimidobenzoate,3-maleimidobenzoyl n-hydroxysuccinimide,1-3-2,5-dioxopyrrolidinyl oxy carbonyl phenyl-1h-pyrrole-2,5-dione,m-maleimidobenzoyl-n-hydroxysuccinimide ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxopyrrol-1-yl benzoate,3-n-maleimidobenzoic acid n-succinimidyl ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl benzoate,ambotzpeg2090 PubChem CID: 93861 IUPAC-Name: (2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)benzoat SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O

InChI-Schlüssel LLXVXPPXELIDGQ-UHFFFAOYSA-N
IUPAC-Name (2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)benzoat
PubChem CID 93861
CAS 58626-38-3
MDL-Nummer MFCD00005514
Molekulargewicht (g/mol) 314.253
SMILES C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O
Synonym 3-maleimidobenzoic acid n-hydroxysuccinimide ester,n-succinimidyl 3-maleimidobenzoate,3-maleimidobenzoyl n-hydroxysuccinimide,1-3-2,5-dioxopyrrolidinyl oxy carbonyl phenyl-1h-pyrrole-2,5-dione,m-maleimidobenzoyl-n-hydroxysuccinimide ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxopyrrol-1-yl benzoate,3-n-maleimidobenzoic acid n-succinimidyl ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl benzoate,ambotzpeg2090
Summenformel C15H10N2O6
5

4-Acetamido-2-Methylbenzoesäure, 96 %, Thermo Scientific Chemicals

CAS: 103204-69-9 Summenformel: C10H11NO3 Molekulargewicht (g/mol): 193.202 MDL-Nummer: MFCD02258874 InChI-Schlüssel: AQPDTYYKDYMCTH-UHFFFAOYSA-N Synonym: 4-acetylamino-2-methylbenzoic acid,benzoic acid, 4-acetylamino-2-methyl,4-acetamido-2-methyl-benzoic acid,acmc-20amqf,4-acetamido-o-toluic acid,4'-acetamido-2-methylbenzoicacid,4-acetylamino-2-methyl-benzoic acid,o-toluic acid, 4-acetamido-6ci,n-acetyl-4-amino-2-methyl-benzoic acid PubChem CID: 2735224 IUPAC-Name: 4-acetamido-2-methylbenzoesäure SMILES: CC1=C(C=CC(=C1)NC(=O)C)C(=O)O

InChI-Schlüssel AQPDTYYKDYMCTH-UHFFFAOYSA-N
IUPAC-Name 4-acetamido-2-methylbenzoesäure
PubChem CID 2735224
CAS 103204-69-9
MDL-Nummer MFCD02258874
Molekulargewicht (g/mol) 193.202
SMILES CC1=C(C=CC(=C1)NC(=O)C)C(=O)O
Synonym 4-acetylamino-2-methylbenzoic acid,benzoic acid, 4-acetylamino-2-methyl,4-acetamido-2-methyl-benzoic acid,acmc-20amqf,4-acetamido-o-toluic acid,4'-acetamido-2-methylbenzoicacid,4-acetylamino-2-methyl-benzoic acid,o-toluic acid, 4-acetamido-6ci,n-acetyl-4-amino-2-methyl-benzoic acid
Summenformel C10H11NO3
6

N-(4-Carboxyphenyl)-Bernsteinsäure, 99 %, Thermo Scientific Chemicals

CAS: 76475-62-2 Summenformel: C11H11NO5 Molekulargewicht (g/mol): 237.21 MDL-Nummer: MFCD00020530 InChI-Schlüssel: IOKXKKSBNJCKOY-UHFFFAOYSA-N Synonym: 4-3-carboxypropanamido benzoic acid,4-3-carboxypropanoyl amino benzoic acid,n-4-carboxyphenyl succinamic acid,4-3-carboxypropanoylamino benzoic acid,cbkinase1_000202,cbkinase1_012602,cambridge id 5122038,n-4-carboxyphenyl succinamidic acid,4-2-carboxyethylcarboxamido benzoic acid PubChem CID: 765581 IUPAC-Name: 4-(3-carboxypropanamido)benzoic acid SMILES: OC(=O)CCC(=O)NC1=CC=C(C=C1)C(O)=O

InChI-Schlüssel IOKXKKSBNJCKOY-UHFFFAOYSA-N
IUPAC-Name 4-(3-carboxypropanamido)benzoic acid
PubChem CID 765581
CAS 76475-62-2
MDL-Nummer MFCD00020530
Molekulargewicht (g/mol) 237.21
SMILES OC(=O)CCC(=O)NC1=CC=C(C=C1)C(O)=O
Synonym 4-3-carboxypropanamido benzoic acid,4-3-carboxypropanoyl amino benzoic acid,n-4-carboxyphenyl succinamic acid,4-3-carboxypropanoylamino benzoic acid,cbkinase1_000202,cbkinase1_012602,cambridge id 5122038,n-4-carboxyphenyl succinamidic acid,4-2-carboxyethylcarboxamido benzoic acid
Summenformel C11H11NO5
7

5-Acetamido-2-Aminobenzoesäure, 97 %, Thermo Scientific Chemicals

CAS: 50670-83-2 Summenformel: C9H10N2O3 Molekulargewicht (g/mol): 194.19 MDL-Nummer: MFCD00060120 InChI-Schlüssel: GSOHXJQXAKNJES-UHFFFAOYSA-N Synonym: 5-acetamidoanthranilic acid,2-amino-5-acetamidobenzoic acid,benzoic acid, 5-acetylamino-2-amino,5-acetylamino-2-aminobenzoic acid,5-acetamino-2-aminobenzoic acid,5-acetamidoanthranilicacid,acmc-209kp2,5-acetylaminoanthanilic acid,5-acetamido-2-aminobenzoicacid,2-amino-5-acetaminobenzoic acid PubChem CID: 170890 IUPAC-Name: 5-acetamido-2-aminobenzoesäure SMILES: CC(=O)NC1=CC(=C(C=C1)N)C(=O)O

InChI-Schlüssel GSOHXJQXAKNJES-UHFFFAOYSA-N
IUPAC-Name 5-acetamido-2-aminobenzoesäure
PubChem CID 170890
CAS 50670-83-2
MDL-Nummer MFCD00060120
Molekulargewicht (g/mol) 194.19
SMILES CC(=O)NC1=CC(=C(C=C1)N)C(=O)O
Synonym 5-acetamidoanthranilic acid,2-amino-5-acetamidobenzoic acid,benzoic acid, 5-acetylamino-2-amino,5-acetylamino-2-aminobenzoic acid,5-acetamino-2-aminobenzoic acid,5-acetamidoanthranilicacid,acmc-209kp2,5-acetylaminoanthanilic acid,5-acetamido-2-aminobenzoicacid,2-amino-5-acetaminobenzoic acid
Summenformel C9H10N2O3
9

Ioversol, TRC

CAS: 87771-40-2 Summenformel: C18 H24 I3 N3 O9 Molekulargewicht (g/mol): 807.11 Synonym: 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo- (9CI),N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo-1,3-benzenedicarboxamide,1-N,3-N-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide,Ioversol,MP 328,Optiray,Optiray 320,P 530,P 530 (contrast agent) IUPAC-Name: 1-N,3-N-bis(2,3-Dihydroxypropyl)-5-[(2-Hydroxyacetyl)-(2-Hydroxyethyl)amino]-2,4,6-Triiodobenzol-1,3-Dicarboxamid SMILES: OCCN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

IUPAC-Name 1-N,3-N-bis(2,3-Dihydroxypropyl)-5-[(2-Hydroxyacetyl)-(2-Hydroxyethyl)amino]-2,4,6-Triiodobenzol-1,3-Dicarboxamid
CAS 87771-40-2
Molekulargewicht (g/mol) 807.11
SMILES OCCN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
Synonym 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo- (9CI),N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo-1,3-benzenedicarboxamide,1-N,3-N-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide,Ioversol,MP 328,Optiray,Optiray 320,P 530,P 530 (contrast agent)
Summenformel C18 H24 I3 N3 O9
10

Ioxaglicsäure, TRC

CAS: 59017-64-0 Summenformel: C24 H21 I6 N5 O8 Molekulargewicht (g/mol): 1268.88 Synonym: Ioxaglic acid,3-[[[[3-(Acetylmethylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid IUPAC-Name: 3-[[2-[[3-[[Acetyl(methyl)amino]-2,4,6-Triiod-5-(Methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-Hydroxyethylcarbamoyl)-2,4,6-Triiodobenzoesäure SMILES: CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I

IUPAC-Name 3-[[2-[[3-[[Acetyl(methyl)amino]-2,4,6-Triiod-5-(Methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-Hydroxyethylcarbamoyl)-2,4,6-Triiodobenzoesäure
CAS 59017-64-0
Molekulargewicht (g/mol) 1268.88
SMILES CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I
Synonym Ioxaglic acid,3-[[[[3-(Acetylmethylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
Summenformel C24 H21 I6 N5 O8
11

4-Acetylamino-3-Hydroxybenzoesäure Ethylester, TRC

CAS: 1346604-18-9 Summenformel: C11N13NO4 Molekulargewicht (g/mol): 223.23 Synonym: Benzoic acid, 4-(acetylamino)-3-hydroxy-, ethyl ester,Ethyl 4-acetamido-3-hydroxybenzoate,4-Acetylamino-3-hydroxybenzoic acid ethyl ester IUPAC-Name: Ethyl-4-Paracetamido-3-Hydroxybenzoat SMILES: CCOC(=O)c1ccc(NC(=O)C)c(O)c1

IUPAC-Name Ethyl-4-Paracetamido-3-Hydroxybenzoat
CAS 1346604-18-9
Molekulargewicht (g/mol) 223.23
SMILES CCOC(=O)c1ccc(NC(=O)C)c(O)c1
Synonym Benzoic acid, 4-(acetylamino)-3-hydroxy-, ethyl ester,Ethyl 4-acetamido-3-hydroxybenzoate,4-Acetylamino-3-hydroxybenzoic acid ethyl ester
Summenformel C11N13NO4
12

Methyl-4-Acetamido-2-Hydroxybenzoat, TRC

CAS: 4093-28-1 Summenformel: C10 H11 N O4 Molekulargewicht (g/mol): 209.2 Synonym: Methyl 4-(Acetylamino)-2-hydroxybenzoate IUPAC-Name: Methyl-4-Paracetamido-2-Hydroxybenzoat SMILES: COC(=O)c1ccc(NC(=O)C)cc1O

IUPAC-Name Methyl-4-Paracetamido-2-Hydroxybenzoat
CAS 4093-28-1
Molekulargewicht (g/mol) 209.2
SMILES COC(=O)c1ccc(NC(=O)C)cc1O
Synonym Methyl 4-(Acetylamino)-2-hydroxybenzoate
Summenformel C10 H11 N O4
13

Ethyl-4-Paracetamobenzoat, TRC

CAS: 5338-44-3 Summenformel: C11 H13 N O3 Molekulargewicht (g/mol): 207.23 Synonym: N-Acetylbenzocaine,Benzoic acid, 4-(acetylamino)-, ethyl ester,Benzoic acid, p-acetamido-, ethyl ester (6CI,8CI),4'-Carbethoxyacetanilide,Ethyl 4-acetamidobenzoate,Ethyl 4-acetylaminobenzoate,Ethyl N-acetyl-4-aminobenzoate,N-(4-(Ethoxycarbonyl)phenyl)acetamide,NSC 28987,NSC 3160 IUPAC-Name: Ethyl-4-Acetamidobenzoat SMILES: CCOC(=O)c1ccc(NC(=O)C)cc1

IUPAC-Name Ethyl-4-Acetamidobenzoat
CAS 5338-44-3
Molekulargewicht (g/mol) 207.23
SMILES CCOC(=O)c1ccc(NC(=O)C)cc1
Synonym N-Acetylbenzocaine,Benzoic acid, 4-(acetylamino)-, ethyl ester,Benzoic acid, p-acetamido-, ethyl ester (6CI,8CI),4'-Carbethoxyacetanilide,Ethyl 4-acetamidobenzoate,Ethyl 4-acetylaminobenzoate,Ethyl N-acetyl-4-aminobenzoate,N-(4-(Ethoxycarbonyl)phenyl)acetamide,NSC 28987,NSC 3160
Summenformel C11 H13 N O3
15

Iopamidol, TRC

CAS: 60166-93-0 Summenformel: C17 H22 I3 N3 O8 Molekulargewicht (g/mol): 777.09 Synonym: Iopamidol,N,N'-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC-Name: 1-N,3-N-bis(1,3-Dihydroxypropan-2-yl)-5-[[(2S)-2-Hydroxypropanoyl]Amino]-2,4,6-Triiodobenzol-1,3-Dicarboxamid SMILES: C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I

IUPAC-Name 1-N,3-N-bis(1,3-Dihydroxypropan-2-yl)-5-[[(2S)-2-Hydroxypropanoyl]Amino]-2,4,6-Triiodobenzol-1,3-Dicarboxamid
CAS 60166-93-0
Molekulargewicht (g/mol) 777.09
SMILES C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I
Synonym Iopamidol,N,N'-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
Summenformel C17 H22 I3 N3 O8