CAS 5893-91-4 Heroin Hydrochloride Monohydrate (Diacetylmorphine Hydrochloride Monohydrate)

CAT	APS5893914
CAS	5893-91-4
Structure
Synonyms	Morphinan-3,6alpha-diol, 7,8-didehydro-4,5alpha-epoxy-17-methyl-, diacetate (ester), hydrochloride, monohydrate (8CI), Heroin hydrochloride monohydrate,Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5alpha,6alpha)-, diacetate (ester), hydrochloride, monohydrate (9CI), Diacetylmorphine hydrochloride monohydrate
IUPAC Name	[(4R,4aR,7S,7aR,12bS)-7-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl] acetate;hydrate;hydrochloride
Molecular Weight	423.89
Molecular Formula	C21H23NO5.ClH.H2O
Canonical SMILES	O.Cl.CN1CC[C@]23[C@H]4Oc5c(OC(=O)C)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)C)c35
InChI	InChI=1S/C21H23NO5.ClH.H2O/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20;;/h4-7,14-15,17,20H,8-10H2,1-3H3;1H;1H2/t14-,15+,17-,20-,21-;;/m0../s1

Accurate Mass	423.1449
API Family	Matrix - API Family Morphine Hydrochloride
Format	Neat
Product Type	Impurity
Shipping	Room Temperature
Storage Conditions	+5°C
Subcategory	Mikromol, Analgesics, Impurity standards

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