L 634549

HCID 153256

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Basic information

CAS: 70483-69-1
Standard SMILES: Cn1c([N+](=O)[O-])cnc1C1=NOC2C1CCC(O)C2O
InChIKey: ZAYDDXBAZPKGDR-UHFFFAOYSA-N
Molecular formula: C11H14N4O5
Average molar mass: 282.25 g/mol
Monoisotopic mass: 282.09641956

Overview

structure given in first source

Names & identifiers

Preferred name: L 634549
IUPAC: 3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole-6,7-diol

Names & synonyms

70483-69-1L 634549L-634549L634,549RefChem:924316cis-3a,4,5,6,7,7a-Hexahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazole-6,7-diolNIOSH/DE49260003-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole-6,7-diolDE492600001,2-Benzisoxazole-6,7-diol, 3a,4,5,6,7,7a-hexahydro-3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,7a-Hexahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazole-6,7-diolorb1696724

Show more names

DTXSID20990691AKOS0407523033-(1-methyl-5-nitro-1H-imidazol-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazole-6,7-diolT324453-(1-Methyl-5-nitro-1H-imidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole-6,7-diol1,2-Benzisoxazole-6,7-diol, 3a,4,5,6,7,7a-hexahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-

Database identifiers

CAS: 70483-69-1
PubChem CID: 153256
DTXSID: DTXSID20990691

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 126 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 439

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