 Home > Encyclopedia > 2-[(2S)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid;hydrochloride

2-[(2S)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid;hydrochloride

2-[(2S)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid;hydrochloride structure

CAS No:
179599-82-7
Formula:
C23H33ClN4O4
Chemical Name:
2-[(2S)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid;hydrochloride
Synonyms:
(S)-2,3,4,5-tetrahydro-4-methyl-3-oxo-7-((4-(4-piperidyl)piperidino)carbonyl)-1H-1,4-benzodiazepine-2-acetic acid, monohydrochloride;lotrafiban;lotrafiban hydrochloride;SB 214857;SB-214857;SB214857;Lotrafiban hydrochloride;UNII-GSV7V79C63;179599-82-7;GSV7V79C63;Lotrafiban hydrochloride [USAN];SB-214857-A;Lotrafiban hydrochloride (USAN);Lotrafiban HCl;1H-1,4-Benzodiazepine-2-acetic acid, 7-((4,4'-bipiperidin)-1-ylcarbonyl)-2,3,4,5-tetrahydro-4-methyl-3-oxo-, monohydrochloride, (2S)-;SB 214857a;SCHEMBL919968;CHEMBL2106651;DTXSID5058727;(2S)-7-((4,4'-Bipiperidin)-1-ylcarbonyl)-2,3,4,5-tetrahydro-4-methyl-3-oxo-1H-1,4-benzodiazepine-2-acetic acid hydrochloride;D04785;Q27279263;(S)-2,3,4,5-Tetrahydro-4-methyl-3-oxo-7-((4-(4-piperidyl)piperidino)carbonyl)-1H-1,4-benzodiazepine-2-acetic acid, monohydrochloride

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2-[(2S)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid;hydrochloride Basic Attributes

Molecular Weight：

465.0 g/mol

Exact Mass：

464.2190332 g/mol

UNII：

GSV7V79C63

DSSTox ID：

DTXSID5058727

Characteristics

PSA：

102 Å²

Drug Information

MeSH Entry Terms：

(S)-2,3,4,5-tetrahydro-4-methyl-3-oxo-7-((4-(4-piperidyl)piperidino)carbonyl)-1H-1,4-benzodiazepine-2-acetic acid, monohydrochloride

Computed Properties

Molecular Weight:465.0
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:464.2190332
Monoisotopic Mass:464.2190332
Topological Polar Surface Area:102
Heavy Atom Count:32
Complexity:673
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-[(2S)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid;hydrochloride

Basic Attributes
Characteristics
Drug Information
Computed Properties
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