L-Penicillamine

HCID 92863

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Basic information

CAS: 1113-41-3
Standard SMILES: CC(C)(S)[C@H](N)C(=O)O
InChIKey: VVNCNSJFMMFHPL-GSVOUGTGSA-N
Molecular formula: C5H11NO2S
Average molar mass: 149.21 g/mol
Monoisotopic mass: 149.05104959

Overview

L-penicillamine is the L-enantiomer of penicillamine. It is an enantiomer of a D-penicillamine.

Names & identifiers

Preferred name: L-Penicillamine
IUPAC: (2R)-2-amino-3-methyl-3-sulfanylbutanoic acid

Names & synonyms

L-Penicillamine3-Mercapto-L-valine3-sulfanyl-L-valine(2R)-2-amino-3-methyl-3-sulfanylbutanoic acidL-(+)-beta-Mercaptovaline(+)-penicillamineUNII-NO1YIB7OIGL-PenValine, 3-mercapto-, L-CCRIS 2902Penicillamine, (+)-r-penicillamine

Show more names

NO1YIB7OIGEINECS 214-203-9NSC 241261BRN 1722374CHEBI:50869NSC-2412614-04-00-03228 (Beilstein Handbook Reference)l-3-Mercaptovaline

Database identifiers

CAS: 1113-41-3、52-67-5
PubChem CID: 92863
DTXSID: DTXSID301317136
ChEMBL: CHEMBL207222
ChEBI: CHEBI:50869
UNII: NO1YIB7OIG
EC Number: 214-203-9
Nikkaji: J9.121I

Properties

Computed structural propertiesFilling in

XLogP: -1.8
Topological polar surface area: 64.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 124

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.