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Substance Name: 3-Mercaptopropionic acid
RN: 107-96-0
UNII: B03TJ3QU9M
InChIKey: DKIDEFUBRARXTE-UHFFFAOYSA-N

Note

  • An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions.

Molecular Formula

  • C3-H6-O2-S

Molecular Weight

  • 106.1444
 

Classification Codes

  • Central Nervous System Agents
  • Central Nervous System Stimulants
  • Convulsants
  • Enzyme Inhibitors
  • GABA Agents
  • Neurotransmitter Agents
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Names and Synonyms

Name of Substance

  • 3-Mercaptopropionic acid
  • Propanoic acid, 3-mercapto-

MeSH Heading

  • 3-Mercaptopropionic acid

Synonyms

  • 2-Mercaptoethanecarboxylic acid
  • 3-Mercaptopropanoic acid
  • 3-Mercaptopropionate
  • 3-Mercaptopropionic acid
  • 3-Thiopropanoic acid
  • 3-Thiopropionic acid
  • 3MPA
  • 4-03-00-00726 (Beilstein Handbook Reference)
  • AI3-26090
  • beta-Mercaptopropanoic acid
  • beta-Mercaptopropionic acid
  • beta-Thiopropionic acid
  • BRN 0773807
  • EC 203-537-0
  • EINECS 203-537-0
  • HSDB 5381
  • Hydracrylic acid, 3-thio-
  • NSC 437
  • Propanoic acid, 3-mercapto-
  • Propionic acid, 3-mercpato-
  • RTECS UK8498000
  • UNII-B03TJ3QU9M

Systematic Names

  • 3-Mercaptopropionic acid
  • Propanoic acid, 3-mercapto-
  • Propionic acid, 3-mercapto-

Superlist Name

  • Propionic acid, 3-mercapto-

Registry Numbers

CAS Registry Number

  • 107-96-0

FDA UNII

  • B03TJ3QU9M

System Generated Number

  • 0000107960

Structure Descriptors

InChI

1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)

InChIKey

DKIDEFUBRARXTE-UHFFFAOYSA-N

Smiles

C(C(=O)O)CS

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 38120ug/kg (38.12mg/kg)   Current Toxicology. Vol. 1, Pg. 199, 1993.
rat LD50 intraperitoneal 66mg/kg (66mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Agents and Actions, A Swiss Journal of Pharmacology. Vol. 1(5), Pg. 231, 1970.
rat LD50 oral 96mg/kg (96mg/kg)   Tin Research Institute, Publication. Vol. -, Pg. 1, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 18 deg C   EXP
log P (octanol-water) 0.43 (none)   EXP
Water Solubility 1.19E+05 mg/L 25 EST
Vapor Pressure 0.0498 mm Hg 25 EXP
Henry's Law Constant 2.58E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.28E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.