3-O-Cyclopropylmethylnaltrexone

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H29NO4
Molecular Weight	395.4914
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-O-Cyclopropylmethylnaltrexone

Structure Search

SMILES

O[C@@]12CCC(=O)[C@@H]3OC4=C(OCC5CC5)C=CC6=C4[C@]13CCN(CC7CC7)[C@@H]2C6

InChI

InChIKey=CWBIRQZMHBILAR-QLBRKBSLSA-N

InChI=1S/C24H29NO4/c26-17-7-8-24(27)19-11-16-5-6-18(28-13-15-3-4-15)21-20(16)23(24,22(17)29-21)9-10-25(19)12-14-1-2-14/h5-6,14-15,19,22,27H,1-4,7-13H2/t19-,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H29NO4
Molecular Weight	395.4914
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 `Wed Apr 02 19:47:41 GMT 2025` Edited by `admin` on `Wed Apr 02 19:47:41 GMT 2025`
Record UNII	ZKP48WH232
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-O-Cyclopropylmethylnaltrexone

Common Name

English

3-Cyclopropylmethylnaltrexone

Preferred Name

English

Morphinan-6-one, 3-(cyclopropylmethoxy)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-, (5?)-

Systematic Name

English

(5?)-3-(Cyclopropylmethoxy)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxymorphinan-6-one

Systematic Name

English

Code System Code Type Description

PUBCHEM

124635549

Created by admin on Wed Apr 02 19:47:41 GMT 2025 , Edited by admin on Wed Apr 02 19:47:41 GMT 2025

PRIMARY

CAS

767615-69-0

Created by admin on Wed Apr 02 19:47:41 GMT 2025 , Edited by admin on Wed Apr 02 19:47:41 GMT 2025

PRIMARY

FDA UNII

ZKP48WH232

Created by admin on Wed Apr 02 19:47:41 GMT 2025 , Edited by admin on Wed Apr 02 19:47:41 GMT 2025

PRIMARY

Related Record Type Details


					28A2BK3MY4

3-O-Cyclopropylmethylnaltrexone hydrochloride

SALT/SOLVATE -> PARENT

Amount: