NALTREXONE HYDROCHLORIDE DIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H23NO4.ClH.2H2O
Molecular Weight	413.892
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NALTREXONE HYDROCHLORIDE DIHYDRATE

Structure Search

SMILES

O.O.Cl.[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CCC2=O)=CC=C3O

InChI

InChIKey=RMRRPHDKLROLJJ-VNANXUGNSA-N

InChI=1S/C20H23NO4.ClH.2H2O/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;;;/h3-4,11,15,18,22,24H,1-2,5-10H2;1H;2*1H2/t15-,18+,19+,20-;;;/m1.../s1

HIDE SMILES / InChI

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	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	C20H23NO4
Molecular Weight	341.4009
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:11:30 UTC 2023` Edited by `admin` on `Sat Dec 16 09:11:30 UTC 2023`
Record UNII	5P80UKS30B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NALTREXONE HYDROCHLORIDE DIHYDRATE

Common Name

English

MORPHINAN-6-ONE, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-3,14-DIHYDROXY-, HYDROCHLORIDE, HYDRATE (1:1:2), (5.ALPHA.)-

Systematic Name

English

Code System Code Type Description

EVMPD

SUB16164MIG