Indole-3-pyruvic acid

Description

Indole-3-pyruvic acid · CAS 392-12-1 · C11H9NO3. UNII 4QM0LT13A8. Collision Cross Section: 137.8 Ų [M-H]-.

Identification

CAS Registry Number	392-12-1
PubChem CID	803
Molecular formula	C11H9NO3
IUPAC name	3-(1H-indol-3-yl)-2-oxopropanoic acid
UNII (FDA)	4QM0LT13A8

Computed Descriptors

Molecular Weight	203.19
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	203.058243149
Monoisotopic Mass	203.058243149
Topological Polar Surface Area	70.2
Heavy Atom Count	15
Formal Charge	0

Physical & Chemical Properties

Collision Cross Section	137.8 Ų [M-H]-

Physical description & handling notes

• 141.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3042053]
• 139.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3042053]
• 138.82 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
• 137.6 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

GHS Hazard Classification

Reported hazard statements	H315 (100%), H319 (100%), H335 (100%)

Documented Uses

• Drugs used to prevent SEIZURES or reduce their severity.
• Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.
• Substances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY.

Synonyms

Indole-3-pyruvic acid; 392-12-1; indolepyruvate; indol-3-yl pyruvic acid; DTXSID3042053; 1H-Indole-3-propanoic acid, alpha-oxo-; alpha-Oxo-1H-indole-3-propanoic acid; 4QM0LT13A8; NSC-88874; DTXCID1022053; 3-(1H-indol-3-yl)-2-oxidanylidene-propanoic acid; RefChem:790954; 206-874-1; 3-(1H-Indol-3-yl)-2-oxopropanoic acid; Indole-3-pyruvate; 3-Indolylpyruvic acid

Frequently Asked Questions

What are the CAS number and molecular formula of Indole-3-pyruvic acid?

CAS 392-12-1; molecular formula C11H9NO3; molecular weight — g/mol.

What other names is Indole-3-pyruvic acid known by?

Indole-3-pyruvic acid, 392-12-1, indolepyruvate, indol-3-yl pyruvic acid, DTXSID3042053, 1H-Indole-3-propanoic acid, alpha-oxo-.

Is Indole-3-pyruvic acid classified as hazardous?

Hazard statements reported: H315, H319, H335.

What are the key physical properties of Indole-3-pyruvic acid?

Collision Cross Section: 137.8 Ų [M-H]-.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.