NALTREXONE BENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H23NO4.C7H6O2
Molecular Weight	463.5223
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC=CC=C1.[H][C@@]23OC4=C5C(C[C@H]6N(CC7CC7)CC[C@@]25[C@@]6(O)CCC3=O)=CC=C4O

InChI

InChIKey=PYPGODGSWLKHEV-ITLPAZOVSA-N

InChI=1S/C20H23NO4.C7H6O2/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;8-7(9)6-4-2-1-3-5-6/h3-4,11,15,18,22,24H,1-2,5-10H2;1-5H,(H,8,9)/t15-,18+,19+,20-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C7H6O2
Molecular Weight	122.1213
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 `Fri Dec 15 15:51:45 UTC 2023` Edited by `admin` on `Fri Dec 15 15:51:45 UTC 2023`
Record UNII	E1D3136FZJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NALTREXONE BENZOATE

Common Name

English

MORPHINAN-6-ONE, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-3,14-DIHYDROXY-, (5.ALPHA.)-, BENZOATE (SALT)

Systematic Name

English

Code System Code Type Description

CAS

152659-56-8

Created by admin on Fri Dec 15 15:51:45 UTC 2023 , Edited by admin on Fri Dec 15 15:51:45 UTC 2023

PRIMARY

PUBCHEM

69278177

Created by admin on Fri Dec 15 15:51:45 UTC 2023 , Edited by admin on Fri Dec 15 15:51:45 UTC 2023

PRIMARY

FDA UNII

E1D3136FZJ

Created by admin on Fri Dec 15 15:51:45 UTC 2023 , Edited by admin on Fri Dec 15 15:51:45 UTC 2023

PRIMARY

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