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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C29H41NO6.C2H2O4
Molecular Weight 1089.3128
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of BELORANIB HEMIOXALATE

SMILES

OC(=O)C(O)=O.[H][C@@]1([C@H](OC)[C@@H](CC[C@]12CO2)OC(=O)\C=C\C3=CC=C(OCCN(C)C)C=C3)[C@@]4(C)O[C@@H]4CC=C(C)C.[H][C@@]5([C@H](OC)[C@@H](CC[C@]56CO6)OC(=O)\C=C\C7=CC=C(OCCN(C)C)C=C7)[C@@]8(C)O[C@@H]8CC=C(C)C

InChI

InChIKey=ZKEMUPZLDSXZCX-CEVDDVLHSA-N
InChI=1S/2C29H41NO6.C2H2O4/c2*1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5;3-1(4)2(5)6/h2*7-12,14,23-24,26-27H,13,15-19H2,1-6H3;(H,3,4)(H,5,6)/b2*14-10+;/t2*23-,24-,26-,27-,28+,29+;/m11./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BELORANIB HEMIOXALATE
Common Name English
CKD 732
Code English
CKD-732
Code English
2-PROPENOIC ACID, 3-(4-(2-(DIMETHYLAMINO)ETHOXY)PHENYL)-, (3R,4S,5S,6R)-5-METHOXY-4-((2R,3R)-2-METHYL-3-(3-METHYL-2-BUTENYL)OXIRANYL)-1-OXASPIRO(2.5)OCT-6-YL ESTER, (2E)-, ETHANEDIOATE (2:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90200996
Created by admin on Sat Dec 16 11:07:18 UTC 2023 , Edited by admin on Sat Dec 16 11:07:18 UTC 2023
PRIMARY
CAS
529511-79-3
Created by admin on Sat Dec 16 11:07:18 UTC 2023 , Edited by admin on Sat Dec 16 11:07:18 UTC 2023
PRIMARY
PUBCHEM
25144864
Created by admin on Sat Dec 16 11:07:18 UTC 2023 , Edited by admin on Sat Dec 16 11:07:18 UTC 2023
PRIMARY
FDA UNII
4T7B8LC5I7
Created by admin on Sat Dec 16 11:07:18 UTC 2023 , Edited by admin on Sat Dec 16 11:07:18 UTC 2023
PRIMARY