HO-PEG5-NALOXOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H43NO9
Molecular Weight	549.653
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC3=C(O)C=CC4=C3[C@@]15CCN(CC=C)[C@H](C4)[C@]5(O)CC[C@@H]2OCCOCCOCCOCCOCCO

InChI

InChIKey=VCZROMAAUMDCHE-BTEQVPEFSA-N

InChI=1S/C29H43NO9/c1-2-8-30-9-7-28-25-21-3-4-22(32)26(25)39-27(28)23(5-6-29(28,33)24(30)20-21)38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-31/h2-4,23-24,27,31-33H,1,5-20H2/t23-,24+,27-,28-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H43NO9
Molecular Weight	549.653
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 15:15:42 GMT 2023` Edited by `admin` on `Sat Dec 16 15:15:42 GMT 2023`
Record UNII	UN8DF3ZPX5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HO-PEG5-NALOXOL

Common Name

English

MORPHINAN-3,14-DIOL, 4,5-EPOXY-6-((14-HYDROXY-3,6,9,12-TETRAOXATETRADEC-1-YL)OXY)-17-(2-PROPEN-1-YL)-, (5.ALPHA.,6.ALPHA.)-

Systematic Name

English

NALOXEGOL METABOLITE M7

Common Name

English

Code System Code Type Description

FDA UNII

UN8DF3ZPX5

Created by admin on Sat Dec 16 15:15:42 GMT 2023 , Edited by admin on Sat Dec 16 15:15:42 GMT 2023

PRIMARY

CAS

2194602-15-6

Created by admin on Sat Dec 16 15:15:42 GMT 2023 , Edited by admin on Sat Dec 16 15:15:42 GMT 2023

PRIMARY

PUBCHEM

156596399

Created by admin on Sat Dec 16 15:15:42 GMT 2023 , Edited by admin on Sat Dec 16 15:15:42 GMT 2023

PRIMARY

Related Record Type Details


					44T7335BKE

NALOXEGOL

PARENT -> METABOLITE

Qualification:

PLASMA; URINE