NALDEMEDINE-(7R)-7-HYDROXIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H34N4O7
Molecular Weight	586.635
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NALDEMEDINE-(7R)-7-HYDROXIDE

Structure Search

SMILES

CC(C)(NC(=O)[C@@]1(O)C[C@@]2(O)[C@H]3CC4=C5C(O[C@@H](C1=O)[C@@]25CCN3CC6CC6)=C(O)C=C4)C7=NC(=NO7)C8=CC=CC=C8

InChI

InChIKey=WICBXUGTYBHVAJ-HRURXKTNSA-N

InChI=1S/C32H34N4O7/c1-29(2,28-33-26(35-43-28)18-6-4-3-5-7-18)34-27(39)31(40)16-32(41)21-14-19-10-11-20(37)23-22(19)30(32,25(42-23)24(31)38)12-13-36(21)15-17-8-9-17/h3-7,10-11,17,21,25,37,40-41H,8-9,12-16H2,1-2H3,(H,34,39)/t21-,25+,30+,31-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H34N4O7
Molecular Weight	586.635
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 `Tue Apr 01 21:44:12 GMT 2025` Edited by `admin` on `Tue Apr 01 21:44:12 GMT 2025`
Record UNII	7E7WC476CT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NALDEMEDINE-(7R)-7-HYDROXIDE

Common Name

English

(4R,4AS,6R,7AR,12BS)-3-(CYCLOPROPYLMETHYL)-4A,6,9-TRIHYDROXY-7-OXO-N-(2-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)PROPAN-2-YL)-2,3,4,4A,5,6,7,7A-OCTAHYDRO-1H-4,12-METHANOBENZOFURO(3,2-E)ISOQUINOLINE-6-CARBOXAMIDE

Preferred Name

English

Code System Code Type Description

FDA UNII

7E7WC476CT

Created by admin on Tue Apr 01 21:44:12 GMT 2025 , Edited by admin on Tue Apr 01 21:44:12 GMT 2025

PRIMARY

PUBCHEM

155929064

Created by admin on Tue Apr 01 21:44:12 GMT 2025 , Edited by admin on Tue Apr 01 21:44:12 GMT 2025

PRIMARY

Related Record Type Details


					03KSI6WLXH

NALDEMEDINE

PARENT -> METABOLITE