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Details

Stereochemistry ACHIRAL
Molecular Formula C24H33NO4S.C4H4O4
Molecular Weight 547.66
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CT-1812 FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CC(C)(C)OC1=CC(CCC(C)(C)N2CC3=C(C2)C=C(C=C3)S(C)(=O)=O)=CC=C1O

InChI

InChIKey=VUOLOSDCWAYRSH-WLHGVMLRSA-N
InChI=1S/C24H33NO4S.C4H4O4/c1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25;5-3(6)1-2-4(7)8/h7-10,13-14,26H,11-12,15-16H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

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

Molecular Formula C24H33NO4S
Molecular Weight 431.588
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:34:50 GMT 2023
Edited
by admin
on Sat Dec 16 14:34:50 GMT 2023
Record UNII
69PP57LR9Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CT-1812 FUMARATE
Common Name English
2-(TERT-BUTOXY)-4-(3-METHYL-3-(5-(METHYLSULFONYL)ISOINDOLIN-2-YL)BUTYL)PHENOL, FUMARATE SALT
Systematic Name English
Code System Code Type Description
PUBCHEM
146675117
Created by admin on Sat Dec 16 14:34:50 GMT 2023 , Edited by admin on Sat Dec 16 14:34:50 GMT 2023
PRIMARY
FDA UNII
69PP57LR9Q
Created by admin on Sat Dec 16 14:34:50 GMT 2023 , Edited by admin on Sat Dec 16 14:34:50 GMT 2023
PRIMARY
SMS_ID
300000004640
Created by admin on Sat Dec 16 14:34:50 GMT 2023 , Edited by admin on Sat Dec 16 14:34:50 GMT 2023
PRIMARY
CAS
2315504-28-8
Created by admin on Sat Dec 16 14:34:50 GMT 2023 , Edited by admin on Sat Dec 16 14:34:50 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY