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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

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
2

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
3

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
4

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
6

Iothalamic Acid, TRC

CAS: 2276-90-6 Molekylær formel: C11 H9 I3 N2 O4 Molekylvægt (g/mol): 613.91 Synonym: Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-,Isophthalamic acid, 5-acetamido-2,4,6-triiodo-N-methyl- (7CI,8CI),3-(Acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid,5-Acetamido-2,4,6-triiodo-N-methylisophthalamic acid,5-Acetylamino-2,4,6-triiodo-N-methyl-3-isophthalamic acid,Cysto Conray II,Iotalamic acid,Iothalamic acid,MI 216,Methalamic acid IUPAC navn: 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid SMIL: CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I

Molekylvægt (g/mol) 613.91
CAS 2276-90-6
Synonym Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-,Isophthalamic acid, 5-acetamido-2,4,6-triiodo-N-methyl- (7CI,8CI),3-(Acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid,5-Acetamido-2,4,6-triiodo-N-methylisophthalamic acid,5-Acetylamino-2,4,6-triiodo-N-methyl-3-isophthalamic acid,Cysto Conray II,Iotalamic acid,Iothalamic acid,MI 216,Methalamic acid
SMIL CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I
IUPAC navn 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Molekylær formel C11 H9 I3 N2 O4
7

Ioxaglic Acid, TRC

CAS: 59017-64-0 Molekylær formel: C24 H21 I6 N5 O8 Molekylvægt (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 navn: 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid SMIL: 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

Molekylvægt (g/mol) 1268.88
CAS 59017-64-0
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
SMIL 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 navn 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
Molekylær formel C24 H21 I6 N5 O8
8

Carboxyformamido Metazachlor Benzoic Acid, TRC

CAS: 1367578-41-3 Molekylær formel: C14 H13 N3 O5 Molekylvægt (g/mol): 303.27 Synonym: Metazachlor Metabolite BH 479-12,Benzoic acid, 2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methyl- IUPAC navn: 3-methyl-2-[oxalo(pyrazol-1-ylmethyl)amino]benzoic acid SMIL: Cc1cccc(C(=O)O)c1N(Cn2cccn2)C(=O)C(=O)O

Molekylvægt (g/mol) 303.27
CAS 1367578-41-3
Synonym Metazachlor Metabolite BH 479-12,Benzoic acid, 2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methyl-
SMIL Cc1cccc(C(=O)O)c1N(Cn2cccn2)C(=O)C(=O)O
IUPAC navn 3-methyl-2-[oxalo(pyrazol-1-ylmethyl)amino]benzoic acid
Molekylær formel C14 H13 N3 O5
9

4-Acetylamino-3-hydroxybenzoic Acid Ethyl Ester, TRC

CAS: 1346604-18-9 Molekylær formel: C11N13NO4 Molekylvægt (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 navn: ethyl 4-acetamido-3-hydroxybenzoate SMIL: CCOC(=O)c1ccc(NC(=O)C)c(O)c1

Molekylvægt (g/mol) 223.23
CAS 1346604-18-9
Synonym Benzoic acid, 4-(acetylamino)-3-hydroxy-, ethyl ester,Ethyl 4-acetamido-3-hydroxybenzoate,4-Acetylamino-3-hydroxybenzoic acid ethyl ester
SMIL CCOC(=O)c1ccc(NC(=O)C)c(O)c1
IUPAC navn ethyl 4-acetamido-3-hydroxybenzoate
Molekylær formel C11N13NO4
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

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
13

Alfa Aesar™ 2-Acetamido-5-bromobenzoic acid, 98%

CAS: 38985-79-4 Molekylær formel: C9H7BrNO3 Molekylvægt (g/mol): 257.06 MDL nummer: MFCD00040904 InChI nøgle: QVABAFHRLMDDLM-UHFFFAOYSA-M PubChem CID: 520935 IUPAC navn: 2-acetamido-5-bromobenzoic acid 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
IUPAC navn 2-acetamido-5-bromobenzoic acid
InChI nøgle QVABAFHRLMDDLM-UHFFFAOYSA-M
Molekylær formel C9H7BrNO3
14

3,4-Diacetamidobenzoic acid, 97%, Thermo Scientific™

CAS: 205873-56-9 Molekylær formel: C11H12N2O4 Molekylvægt (g/mol): 236.227 MDL nummer: MFCD00238577 InChI nøgle: GHTLCMPYQOFKCS-UHFFFAOYSA-N Synonym: 3,4-bis acetylamino benzoic acid,benzoic acid,3,4-bis acetylamino,3,4-di acetylamino benzoic acid,maybridge1_006001,acmc-20anfw,3,4-bis acetamido benzoic acid PubChem CID: 2735923 IUPAC navn: 3,4-diacetamidobenzoic acid SMIL: CC(=O)NC1=C(C=C(C=C1)C(=O)O)NC(=O)C

MDL nummer MFCD00238577
PubChem CID 2735923
Molekylvægt (g/mol) 236.227
CAS 205873-56-9
Synonym 3,4-bis acetylamino benzoic acid,benzoic acid,3,4-bis acetylamino,3,4-di acetylamino benzoic acid,maybridge1_006001,acmc-20anfw,3,4-bis acetamido benzoic acid
SMIL CC(=O)NC1=C(C=C(C=C1)C(=O)O)NC(=O)C
IUPAC navn 3,4-diacetamidobenzoic acid
InChI nøgle GHTLCMPYQOFKCS-UHFFFAOYSA-N
Molekylær formel C11H12N2O4
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