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Acylaminobenzoesyre og derivater

Organiske forbindelser, der består af en benzoesyre med en acylaminosubstitution; en acylaminosubstitution består af et carbonatom bundet til en carbonylgruppe, der er bundet til et nitrogenatom bundet til et hydrogenatom og en organisk gruppe.

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1

N-Succinimidyl 3-maleimidobenzoate, 95%

CAS: 58626-38-3 Molekylær formel: C15H10N2O6 Molekylvægt (g/mol): 314.253 MDL nummer: MFCD00005514 InChI nøgle: 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 navn: (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)benzoat SMIL: C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O

MDL nummer MFCD00005514
PubChem CID 93861
Molekylvægt (g/mol) 314.253
CAS 58626-38-3
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
SMIL C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O
IUPAC navn (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)benzoat
InChI nøgle LLXVXPPXELIDGQ-UHFFFAOYSA-N
Molekylær formel C15H10N2O6
2

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

CAS: 76475-62-2 Molekylær formel: C11H11NO5 Molekylvægt (g/mol): 237.21 MDL nummer: MFCD00020530 InChI nøgle: 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 navn: 4-(3-carboxypropanoylamino)benzoesyre SMIL: OC(=O)CCC(=O)NC1=CC=C(C=C1)C(O)=O

MDL nummer MFCD00020530
PubChem CID 765581
Molekylvægt (g/mol) 237.21
CAS 76475-62-2
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
SMIL OC(=O)CCC(=O)NC1=CC=C(C=C1)C(O)=O
IUPAC navn 4-(3-carboxypropanoylamino)benzoesyre
InChI nøgle IOKXKKSBNJCKOY-UHFFFAOYSA-N
Molekylær formel C11H11NO5
3

N-Acetal Bromopride, TRC

CAS: 94135-22-5 Molekylær formel: C16H24BrN3O3 Molekylvægt (g/mol): 386.28 Synonym: 4-(Acetylamino)-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide,Bromopride Impurity A IUPAC navn: 4-acetamido-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide SMIL: CCN(CC)CCNC(=O)c1cc(Br)c(NC(=O)C)cc1OC

Molekylvægt (g/mol) 386.28
CAS 94135-22-5
Synonym 4-(Acetylamino)-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide,Bromopride Impurity A
SMIL CCN(CC)CCNC(=O)c1cc(Br)c(NC(=O)C)cc1OC
IUPAC navn 4-acetamido-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
Molekylær formel C16H24BrN3O3
4

N-Formyl Benzocaine, TRC

CAS: 5422-63-9 Molekylær formel: C10 H11 N O3 Molekylvægt (g/mol): 193.199 Synonym: 4-(Formylamino)benzoic Acid Ethyl Ester,Benzoic acid, p-formamido-, ethyl ester (6CI),Ethyl 4-(formylamino)benzoate,Ethyl 4-formamidobenzoate,Ethyl p-formamidobenzoate,NSC 12009,Ethyl 4-Formamidobenzoate,N-Formylbenzocaine,N-Formyl benzocaine IUPAC navn: ethyl 4-formamidobenzoate SMIL: CCOC(=O)c1ccc(NC=O)cc1

Molekylvægt (g/mol) 193.199
CAS 5422-63-9
Synonym 4-(Formylamino)benzoic Acid Ethyl Ester,Benzoic acid, p-formamido-, ethyl ester (6CI),Ethyl 4-(formylamino)benzoate,Ethyl 4-formamidobenzoate,Ethyl p-formamidobenzoate,NSC 12009,Ethyl 4-Formamidobenzoate,N-Formylbenzocaine,N-Formyl benzocaine
SMIL CCOC(=O)c1ccc(NC=O)cc1
IUPAC navn ethyl 4-formamidobenzoate
Molekylær formel C10 H11 N O3
5

Metalaxyl metabolit CGA 108906, TRC

CAS: 104390-56-9 Molekylær formel: C14 H17 N O6 Molekylvægt (g/mol): 295.29 Synonym: 2-[(1-Carboxyethyl)(2-methoxyacetyl)amino]-3-methylbenzoic acid,2-[(1-Carboxyethyl)(methoxyacetyl)amino]-3-methyl-benzoic Acid,Benzoic acid, 2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methyl- (9CI),Benzoic acid, 2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methyl-, (±)-,Metalaxyl metabolite CGA 108906 IUPAC navn: 2-[1-carboxyethyl-(2-methoxyacetyl)amino]-3-methylbenzoic acid SMIL: COCC(=O)N(C(C)C(=O)O)c1c(C)cccc1C(=O)O

Molekylvægt (g/mol) 295.29
CAS 104390-56-9
Synonym 2-[(1-Carboxyethyl)(2-methoxyacetyl)amino]-3-methylbenzoic acid,2-[(1-Carboxyethyl)(methoxyacetyl)amino]-3-methyl-benzoic Acid,Benzoic acid, 2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methyl- (9CI),Benzoic acid, 2-[(1-carboxyethyl)(methoxyacetyl)amino]-3-methyl-, (±)-,Metalaxyl metabolite CGA 108906
SMIL COCC(=O)N(C(C)C(=O)O)c1c(C)cccc1C(=O)O
IUPAC navn 2-[1-carboxyethyl-(2-methoxyacetyl)amino]-3-methylbenzoic acid
Molekylær formel C14 H17 N O6
6

4-Acetamido-2-methylbenzoic acid, 96%

CAS: 103204-69-9 Molekylær formel: C10H11NO3 Molekylvægt (g/mol): 193.202 MDL nummer: MFCD02258874 InChI nøgle: 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 navn: 4-acetamido-2-methylbenzoesyre SMIL: CC1=C(C=CC(=C1)NC(=O)C)C(=O)O

MDL nummer MFCD02258874
PubChem CID 2735224
Molekylvægt (g/mol) 193.202
CAS 103204-69-9
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
SMIL CC1=C(C=CC(=C1)NC(=O)C)C(=O)O
IUPAC navn 4-acetamido-2-methylbenzoesyre
InChI nøgle AQPDTYYKDYMCTH-UHFFFAOYSA-N
Molekylær formel C10H11NO3
7

3-Acetamidobenzoic acid, 98%

CAS: 587-48-4 Molekylær formel: C9H9NO3 Molekylvægt (g/mol): 179.175 MDL nummer: MFCD00013983 InChI nøgle: 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 navn: 3-acetamidobenzoesyre SMIL: CC(=O)NC1=CC=CC(=C1)C(=O)O

MDL nummer MFCD00013983
PubChem CID 48847
Molekylvægt (g/mol) 179.175
CAS 587-48-4
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
SMIL CC(=O)NC1=CC=CC(=C1)C(=O)O
IUPAC navn 3-acetamidobenzoesyre
InChI nøgle RGDPZMQZWZMONQ-UHFFFAOYSA-N
Molekylær formel C9H9NO3
10

5-Acetamido-2-aminobenzoic acid, 97%

CAS: 50670-83-2 Molekylær formel: C9H10N2O3 Molekylvægt (g/mol): 194.19 MDL nummer: MFCD00060120 InChI nøgle: 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 navn: 5-acetamido-2-aminobenzoesyre SMIL: CC(=O)NC1=CC(=C(C=C1)N)C(=O)O

MDL nummer MFCD00060120
PubChem CID 170890
Molekylvægt (g/mol) 194.19
CAS 50670-83-2
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
SMIL CC(=O)NC1=CC(=C(C=C1)N)C(=O)O
IUPAC navn 5-acetamido-2-aminobenzoesyre
InChI nøgle GSOHXJQXAKNJES-UHFFFAOYSA-N
Molekylær formel C9H10N2O3
11

Methyl-2-(acetylamino)-3-nitrobenzoat, 97 %, Thermo Scientific™

CAS: 95067-27-9 Molekylær formel: C10H10N2O5 Molekylvægt (g/mol): 238.20 MDL nummer: MFCD00157613 InChI nøgle: 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 navn: methyl-2-acetamido-3-nitrobenzoat SMIL: COC(=O)C1=C(NC(C)=O)C(=CC=C1)[N+]([O-])=O

MDL nummer MFCD00157613
PubChem CID 2782278
Molekylvægt (g/mol) 238.20
CAS 95067-27-9
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
SMIL COC(=O)C1=C(NC(C)=O)C(=CC=C1)[N+]([O-])=O
IUPAC navn methyl-2-acetamido-3-nitrobenzoat
InChI nøgle PHFRWNCHBPVTJN-UHFFFAOYSA-N
Molekylær formel C10H10N2O5
12

Methyl 2-acetamido-5-chlorobenzoate, 97%, Thermo Scientific™

CAS: 20676-54-4 Molekylær formel: C10H10ClNO3 Molekylvægt (g/mol): 227.64 MDL nummer: MFCD00144759 InChI nøgle: TVAAIYFBEWHVCV-UHFFFAOYSA-N Synonym: 2-acetamido-5-chlorobenzoic acid methyl ester,methyl 5-chloro-2-acetamidobenzoate,methyl n-acetyl-5-chloroanthranilate,n-acetyl-5-chloroanthranilic acid methyl ester,2-acetylamino-5-chloro-benzoic acid methyl ester,methyl 2-acetylamino-5-chlorobenzoate,pubchem3337,acmc-1cioq,methyl2-acetamido-5-chlorobenzoate,methyl 2-acetamido-5-chloranyl-benzoate PubChem CID: 4640571 IUPAC navn: methyl 2-acetamido-5-chlorobenzoate SMIL: COC(=O)C1=CC(Cl)=CC=C1NC(C)=O

MDL nummer MFCD00144759
PubChem CID 4640571
Molekylvægt (g/mol) 227.64
CAS 20676-54-4
Synonym 2-acetamido-5-chlorobenzoic acid methyl ester,methyl 5-chloro-2-acetamidobenzoate,methyl n-acetyl-5-chloroanthranilate,n-acetyl-5-chloroanthranilic acid methyl ester,2-acetylamino-5-chloro-benzoic acid methyl ester,methyl 2-acetylamino-5-chlorobenzoate,pubchem3337,acmc-1cioq,methyl2-acetamido-5-chlorobenzoate,methyl 2-acetamido-5-chloranyl-benzoate
SMIL COC(=O)C1=CC(Cl)=CC=C1NC(C)=O
IUPAC navn methyl 2-acetamido-5-chlorobenzoate
InChI nøgle TVAAIYFBEWHVCV-UHFFFAOYSA-N
Molekylær formel C10H10ClNO3
13

Methyl 2-acetamido-5-bromobenzoate, 97%, Thermo Scientific™

CAS: 138825-96-4 Molekylær formel: C10H10BrNO3 Molekylvægt (g/mol): 272.098 MDL nummer: MFCD00144758 InChI nøgle: CPARHIBNDSEJGR-UHFFFAOYSA-N Synonym: 2-acetamido-5-bromobenzoic acid methyl ester,methyl 2-acetylamino-5-bromobenzoate,n-acetyl-5-bromoanthranilic acid methyl ester,benzoic acid, 2-acetylamino-5-bromo-, methyl ester,methyl 5-bromo-2-acetamidobenzoate,acmc-20akiv,pubchem3334,methyl2-acetamido-5-bromobenzoate,labotest-bb lt00454800 PubChem CID: 736223 IUPAC navn: methyl 2-acetamido-5-bromobenzoate SMIL: CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OC

MDL nummer MFCD00144758
PubChem CID 736223
Molekylvægt (g/mol) 272.098
CAS 138825-96-4
Synonym 2-acetamido-5-bromobenzoic acid methyl ester,methyl 2-acetylamino-5-bromobenzoate,n-acetyl-5-bromoanthranilic acid methyl ester,benzoic acid, 2-acetylamino-5-bromo-, methyl ester,methyl 5-bromo-2-acetamidobenzoate,acmc-20akiv,pubchem3334,methyl2-acetamido-5-bromobenzoate,labotest-bb lt00454800
SMIL CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OC
IUPAC navn methyl 2-acetamido-5-bromobenzoate
InChI nøgle CPARHIBNDSEJGR-UHFFFAOYSA-N
Molekylær formel C10H10BrNO3
15

2-Acetamido-5-bromobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 38985-79-4 Molekylær formel: C9H7BrNO3 Molekylvægt (g/mol): 257.06 MDL nummer: MFCD00040904 InChI nøgle: QVABAFHRLMDDLM-UHFFFAOYSA-M PubChem CID: 520935 SMIL: CC(=O)NC1=CC=C(Br)C=C1C([O-])=O

MDL nummer MFCD00040904
PubChem CID 520935
Molekylvægt (g/mol) 257.06
CAS 38985-79-4
SMIL CC(=O)NC1=CC=C(Br)C=C1C([O-])=O
InChI nøgle QVABAFHRLMDDLM-UHFFFAOYSA-M
Molekylær formel C9H7BrNO3