3-O-Cyclopropylmethylnaltrexone hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H29NO4.ClH
Molecular Weight	431.952
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-O-Cyclopropylmethylnaltrexone hydrochloride

Structure Search

SMILES

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

InChI

InChIKey=OUDBLRGFLWSZDJ-QAZQOLFRSA-N

InChI=1S/C24H29NO4.ClH/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;1H/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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:23:39 GMT 2025` Edited by `admin` on `Wed Apr 02 20:23:39 GMT 2025`
Record UNII	28A2BK3MY4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NIH-10808

Preferred Name

English

3-O-Cyclopropylmethylnaltrexone hydrochloride

Common Name

English

NIH10808

Code

English

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

Systematic Name

English

Code System Code Type Description

CAS

240422-39-3

Created by admin on Wed Apr 02 20:23:39 GMT 2025 , Edited by admin on Wed Apr 02 20:23:39 GMT 2025

PRIMARY

FDA UNII

28A2BK3MY4

Created by admin on Wed Apr 02 20:23:39 GMT 2025 , Edited by admin on Wed Apr 02 20:23:39 GMT 2025

PRIMARY

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3-O-Cyclopropylmethylnaltrexone

PARENT -> SALT/SOLVATE

Amount: