DIAMORPHINE HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H23NO5.ClH.H2O
Molecular Weight	423.887
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIAMORPHINE HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.[H][C@@]12OC3=C4C(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC(C)=O)=CC=C3OC(C)=O

InChI

InChIKey=RXHOCRVNZZBATK-NRXBBNKASA-N

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

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H23NO5
Molecular Weight	369.411
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:40:14 UTC 2023` Edited by `admin` on `Sat Dec 16 09:40:14 UTC 2023`
Record UNII	03NIQ3Y7W2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIAMORPHINE HYDROCHLORIDE MONOHYDRATE

Common Name

English

HEROIN HYDROCHLORIDE MONOHYDRATE

Common Name

English

DIACETYLMORPHINE HYDROCHLORIDE MONOHYDRATE

Common Name

English

DIACETYLMORPHINE HYDROCHLORIDE MONOHYDRATE [MI]

Common Name

English

MORPHINAN-3,6.ALPHA.-DIOL, 7,8-DIDEHYDRO-4,5.ALPHA.-EPOXY-17-METHYL-, DIACETATE (ESTER), HYDROCHLORIDE, MONOHYDRATE

Systematic Name

English

MORPHINAN-3,6-DIOL, 7,8-DIDEHYDRO-4,5-EPOXY-17-METHYL- (5.ALPHA.,6.ALPHA.)-, DIACETATE (ESTER), HYDROCHLORIDE, MONOHYDRATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90735793