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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

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

Approval Year

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
Systematic Name English
Code System Code Type Description
FDA UNII
7E7WC476CT
Created by admin on Sat Dec 16 13:55:55 GMT 2023 , Edited by admin on Sat Dec 16 13:55:55 GMT 2023
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PUBCHEM
155929064
Created by admin on Sat Dec 16 13:55:55 GMT 2023 , Edited by admin on Sat Dec 16 13:55:55 GMT 2023
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