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N-Acetylpenicillamine

N-Acetylpenicillamine structure

CAS No:
15537-71-0
Formula:
C7H13NO3S
Chemical Name:
N-Acetylpenicillamine
Synonyms:
D-Valine,N-acetyl-3-mercapto-;Valine,N-acetyl-3-mercapto-,D-;N-Acetyl-3-mercapto-D-valine;N-Acetyl-D-penicillamine;N-Acetylpenicillamine;N-Acetyl-3-mercaptovaline;(S)-2-Acetamido-3-mercapto-3-methylbutanoic acid;(2S)-2-Acetamido-3-methyl-3-sulfanylbutanoic acid;7672-80-2
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

N-acetyl-D-penicillamine is an N-acetyl-D-amino acid where the amino acid is D-penicillamine

N-Acetylpenicillamine Basic Attributes

Molecular Weight：

191.25 g/mol

Exact Mass：

191.25

EC Number：

239-585-4

UNII：

WO11M5K6OR

Characteristics

PSA：

67.4 Å²

Melting Point：

183 °C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

N-acetylpenicillamine

Computed Properties

Molecular Weight:191.25
XLogP3:0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:191.06161445
Monoisotopic Mass:191.06161445
Topological Polar Surface Area:67.4
Heavy Atom Count:12
Complexity:203
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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15537-71-0 (2S)-2-acetamido-3-methyl-3-sulfanylbutanoic acid

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