Heroin hydrochloride
[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate;hydrochloride
Molecular Identity
Heroin hydrochloride
[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate;hydrochloride
PubChem CID: 9844225
2D Structure
Properties
C21H24ClNO5
Molecular Formula
405.90
Molecular Weight
g/mol
405.1343
Exact Mass
Da
65.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
692
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Heroin hydrochlorideDiamorphine hydrochlorideDiacetylmorphine hydrochloride1502-95-0Diacetylmorphine HClHeroine hydrochloride(-)-Heroin hydrochlorideDTXSID2048909NSC-3023578H672SHT8EDiacetylmorphine hydrochloride ciDTXCID9028835NSC302357RefChem:783763Morphinan-3,6alpha-diol, 7,8-didehydro-4,5alpha-epoxy-17-methyl-, Morphine, Diacetate (ester), Hydrochloride
Data from PubChem (NCBI)
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Drug Network
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