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219909-83-8

219909-83-8 Structure

219909-83-8 Structure
IdentificationMore
[Name]

3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride
[CAS]

219909-83-8
[Synonyms]

THIAPROLINE-M-AMINO-BENZOIC ACID HYDROCHLORIDE
3-((4S)-4-SULFANYL-L-PROLINAMIDOL)BENZOZUURHYDROCHLORIDE
(2S)-2-cis-3-[[4-Mercapto-2-pyrrolidinyl)carbonyl]amino]benzoic acid hydrochloride
3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride
SIDECHAINIIFORERTAPENEM
[EINECS(EC#)]

606-882-9
[Molecular Formula]

C12H15ClN2O3S
[MDL Number]

MFCD10698849
[Molecular Weight]

302.78
[MOL File]

219909-83-8.mol
Chemical PropertiesBack Directory
[Melting point ]

212 °C
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly), Phosphoric Acid (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[InChI]

InChI=1/C12H14N2O3S.ClH/c15-11(10-5-9(18)6-13-10)14-8-3-1-2-7(4-8)12(16)17;/h1-4,9-10,13,18H,5-6H2,(H,14,15)(H,16,17);1H/t9-,10-;/s3
[InChIKey]

DDRIIBZWSJDJQQ-GQCGHMMXNA-N
[SMILES]

C(O)(=O)C1=CC=CC(NC([C@@H]2C[C@H](S)CN2)=O)=C1.Cl |&1:10,12,r|
[CAS DataBase Reference]

219909-83-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

3-((2S,4S)-4-Mercaptopyrrolidine-2-carboxamido)benzoic Acid Hydrochloride is used as a reactant in the synthesis of a carbapenem antibiotic; Ertapenem Sodium.
[storage]

Store the container tightly closed in a dry, cool and well-ventilated place. Store apart from foodstuff containers or incompatible materials.
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