CAS 19771-63-2 Procysteine (HCID 72390)

Overview

(4R)-2-oxo-4-thiazolidinecarboxylic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.

Names & identifiers

Preferred name: Procysteine
IUPAC: (4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid
English name: Procysteine
Molecular formula: C4H5NO3S
Molecular weight: 147.15

Names & synonyms

Procysteine19771-63-2(R)-2-Oxothiazolidine-4-carboxylic acidoxothiazolidinecarboxylic acid(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acidKoprosteineL-2-Oxothiazolidine-4-carboxylic acid4-Thiazolidinecarboxylic acid, 2-oxo-, (4R)-L-2-Oxo-4-thiazolidinecarboxylic acid4-Thiazolidinecarboxylic acid, 2-oxo-, L-(-)-2-Oxo-4-thiazolidinecarboxylic acidX7063P804E

Show more names

OTCOTZL-2-Thiazolidione-4-carboxylic acidH-L-OXOTHZ-OHProcysteine USP/EP/BPOxothiazolidine carboxylatel-4-thiazolidinecarboxylicaci

DTXSID5013182472-oxo-l-thiazolidine-4-carboxylic acid2-OXO-4-THIAZOLIDINECARBOXYLIC ACID, L-2-oxo-4-thiazolidine carboxylic acidRefChem:930008L-2-OTZD-4-CXADTXCID5017480342-Oxothiazolidine-4-carboxylic acid

Database identifiers

CAS: 19771-63-2
PubChem CID: 72390
DTXSID: DTXSID501318247
ChEMBL: CHEMBL442218
ChEBI: CHEBI:125673
UNII: X7063P804E
EC Number: 606-375-2
Nikkaji: J47.648J

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 91.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 158

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Melting point: 174 °C · 174 °C (dec.)(lit.)
alpha: -60 · -60 º (c=1 in H2O)
Density: 1.582 · 1.582±0.06 g/cm3(Predicted)
refractive index: -64 ° · -64 ° (C=1, H2O)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form: Powder
pka: pKa (22°): 3.32
color: White to Off-white
Water Solubility: Soluble in water
Merck: 13 · 13,7019
BRN: 4179169 · 4179169
Cosmetics Ingredients Functions: SKIN CONDITIONING
InChI: InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
InChIKey: BMLMGCPTLHPWPY-REOHCLBHSA-N
SMILES: S1C[C@@H](C(O)=O)NC1=O
CAS DataBase Reference: 19771 · 19771-63-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NCI Dictionary of Cancer Terms: OTC
FDA UNII: 7063 P804E · X7063P804E
UNSPSC Code: 12352106 · 12352106
NACRES: 26 · NA.26
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 5426650 · XJ5426650
HS Code: 2934.2 · 2934.20.8000
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: XJ5426650
hs_code: 2934.20.8000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses(R)-(-)-2-Oxothiazolidine-4-carboxylic Acid or Procysteine is a precursor to glutathione (GSH) which is an important antioxidant in plants, animals and fungi.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Additional notes

DefinitionChEBI: (4R)-2-oxo-4-thiazolidinecarboxylic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.