Carbamimidothioic acid, 10-undecenyl ester, monohydriodide

HCID 31429

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 22584-04-9
Standard SMILES: C=CCCCCCCCCCSC(=N)N.I
InChIKey: INDZTCRIYSRWOH-UHFFFAOYSA-N
Molecular formula: C12H25IN2S
Average molar mass: 356.31 g/mol

Overview

An undecenyl THIOUREA which may have topical anti-inflammatory activity.

Names & identifiers

Preferred name: Carbamimidothioic acid, 10-undecenyl ester, monohydriodide
IUPAC: undec-10-enyl carbamimidothioate;hydroiodide
English name: 2-undec-10-enylisothiouronium iodide
Molecular formula: C12H24N2S.HI
Molecular weight: 356.31

Names & synonyms

ISOTHIURONIUM22584-04-9Isothiouronium iodide saltAHR 1911Carbamimidothioic acid, 10-undecenyl ester, monohydriodide8XYH0MIG48NSC-297328DTXSID10177111IsothiouroniumAHR1911RefChem:150049DTXCID5099602

Show more names

Nsc297328NSC-297328|||NSC297328|||NSC 297328S-(10-Undecen-1-yl) Isothiuronium iodide salt

245-108-02-Undec-10-enylisothiouronium iodideAHR-1911undec-10-enyl carbamimidothioate;hydroiodideEINECS 245-108-0NSC 297328undec-10-enyl carbamimidothioate,hydroiodide2-(10-Undecen-1-yl)-2-thiopseudourea monohydroiodide

Database identifiers

CAS: 22584-04-9
PubChem CID: 31429
UNII: 8XYH0MIG48
EC Number: 245-108-0

Properties

Computed structural properties

Topological polar surface area: 75.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 11
Heavy atoms: 16
Formal charge: 0
Complexity: 169

Physicochemical properties

form: Solid
FDA UNII: 8 XYH0MIG48 · 8XYH0MIG48

Chemistry & industry

Applications · 1 item

UsesAHR-1911 (10-Undecen-1-yl-Thiopseudourea Iodide;Isothiuronium) is a thiourea-based anti-inflammatory and anti-tumor agent that has an improving effect on burned skin. AHR-1911 produces histamine-like effects when injected intradermally and may reduce arterial pressure in anesthetized dogs. AHR-1911 inhibits tumor growth and reduces microsomal and C-polysome protein synthesis[1][2].