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Details

Stereochemistry ACHIRAL
Molecular Formula C34H47NO4.C4H4O4
Molecular Weight 649.8134
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CELIVARONE FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CCCCN(CCCC)CCCC1=CC=C(C=C1)C(=O)C2=C(CCCC)OC3=C2C=C(C=C3)C(=O)OC(C)C

InChI

InChIKey=OJGUHVXJDZPQSK-WLHGVMLRSA-N
InChI=1S/C34H47NO4.C4H4O4/c1-6-9-14-31-32(29-24-28(19-20-30(29)39-31)34(37)38-25(4)5)33(36)27-17-15-26(16-18-27)13-12-23-35(21-10-7-2)22-11-8-3;5-3(6)1-2-4(7)8/h15-20,24-25H,6-14,21-23H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula C34H47NO4
Molecular Weight 533.7413
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:41:24 UTC 2023
Edited
by admin
on Fri Dec 15 15:41:24 UTC 2023
Record UNII
GA9K2RD7NJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CELIVARONE FUMARATE
Common Name English
5-BENZOFURANCARBOXYLIC ACID, 2-BUTYL-3-(4-(3-(DIBUTYLAMINO)PROPYL)BENZOYL)-, 1-METHYLETHYL ESTER, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
SSR-149744C
Code English
Code System Code Type Description
FDA UNII
GA9K2RD7NJ
Created by admin on Fri Dec 15 15:41:25 UTC 2023 , Edited by admin on Fri Dec 15 15:41:25 UTC 2023
PRIMARY
CAS
401925-44-8
Created by admin on Fri Dec 15 15:41:25 UTC 2023 , Edited by admin on Fri Dec 15 15:41:25 UTC 2023
NON-SPECIFIC STOICHIOMETRY
CAS
752253-75-1
Created by admin on Fri Dec 15 15:41:25 UTC 2023 , Edited by admin on Fri Dec 15 15:41:25 UTC 2023
PRIMARY
PUBCHEM
9852525
Created by admin on Fri Dec 15 15:41:25 UTC 2023 , Edited by admin on Fri Dec 15 15:41:25 UTC 2023
PRIMARY
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