14-(bromoacetamido)-7,8-dihydro-N-(cyclopropylmethy)normorphinone

Substructure search Find similar structures

Basic information

CAS: 151061-15-3
Standard SMILES: O=C(CBr)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5
InChIKey: DXCGQSMGPIFTCQ-YPVJZLTNSA-N
Molecular formula: C22H25BrN2O4
Average molar mass: 461.3 g/mol
Monoisotopic mass: 460.09977

Names & identifiers

Preferred name: 14-(bromoacetamido)-7,8-dihydro-N-(cyclopropylmethy)normorphinone
IUPAC: N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-bromoacetamide
English name: 14-(bromoacetamido)-7,8-dihydro-N-(cyclopropylmethy)normorphinone
Molecular formula: C22H25BrN2O4
Molecular weight: 461.35

Names & synonyms

N-Cpm-H2BAMO151061-15-314-(Bromoacetamido)-7,8-dihydro-N-(cyclopropylmethy)normorphinoneDTXSID30164700RefChem:78580DTXCID6087191Acetamide, 2-bromo-N-((5alpha)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-oxomorphinan-14-yl)-2-Bromo-N-[17-(cyclopropylmethyl)-3-hydroxy-6-oxo-5alpha-4,5-epoxymorphinan-14-yl]acetamideAcetamide, 2-bromo-N-[(5α)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-oxomorphinan-14-yl]- (9CI)

Database identifiers

CAS: 151061-15-3
PubChem CID: 5748321
DTXSID: DTXSID30164700

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 29
Formal charge: 0
Complexity: 744

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…