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

CAS NO.：219909-83-8
Empirical Formula: C12H15ClN2O3S
Molecular Weight: 302.78
MDL number: MFCD10698849
EINECS: 606-882-9
SAFETY DATA SHEET (SDS)
Update Date: 2024-07-02 14:09:54

What is 3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride?

The Uses of 3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride

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.

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

Melting point:	212 °C
storage temp.	Inert atmosphere,Room Temperature
solubility	DMSO (Slightly), Methanol (Slightly), Phosphoric Acid (Slightly), Water (Slightl
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
CAS DataBase Reference	219909-83-8(CAS DataBase Reference)

Safety information for 3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride

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\|

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Ertapenem Methyl Ester Sodium Salt

Ertapenem Dimer III

Ertapenem sodium

ErtapeneM IMpurity DIPP

Ertapenem Impurity 10

Ertapenem Disodium

Ertapenem Dimer Form D Impurity