U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula 2C18H19NO3S.C4H4O4
Molecular Weight 774.899
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ARM-210 HEMIFUMARATE

SMILES

OC(=O)\C=C\C(O)=O.COC1=CC=C2SCCN(CC3=CC=C(C=C3)C(O)=O)CC2=C1.COC4=CC=C5SCCN(CC6=CC=C(C=C6)C(O)=O)CC5=C4

InChI

InChIKey=KPOXJHIAEVDHMU-WXXKFALUSA-N
InChI=1S/2C18H19NO3S.C4H4O4/c2*1-22-16-6-7-17-15(10-16)12-19(8-9-23-17)11-13-2-4-14(5-3-13)18(20)21;5-3(6)1-2-4(7)8/h2*2-7,10H,8-9,11-12H2,1H3,(H,20,21);1-2H,(H,5,6)(H,7,8)/b;;2-1+

HIDE SMILES / InChI

Molecular Formula C18H19NO3S
Molecular Weight 329.413
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 Sat Dec 16 12:49:05 GMT 2023
Edited
by admin
on Sat Dec 16 12:49:05 GMT 2023
Record UNII
ZHR6WM1ADJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ARM-210 HEMIFUMARATE
Common Name English
BENZOIC ACID, 4-((2,3-DIHYDRO-7-METHOXY-1,4-BENZOTHIAZEPIN-4(5H)-YL)METHYL)-, (2E)-2-BUTENEDIOATE (2:1)
Systematic Name English
4-((7-METHOXY-2,3-DIHYDRO-1,4-BENZOTHIAZEPIN-4(5H)-YL)METHYL)BENZOIC ACID, HEMIFUMARATE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 736220
Created by admin on Sat Dec 16 12:49:05 GMT 2023 , Edited by admin on Sat Dec 16 12:49:05 GMT 2023
FDA ORPHAN DRUG 501515
Created by admin on Sat Dec 16 12:49:05 GMT 2023 , Edited by admin on Sat Dec 16 12:49:05 GMT 2023
FDA ORPHAN DRUG 558016
Created by admin on Sat Dec 16 12:49:05 GMT 2023 , Edited by admin on Sat Dec 16 12:49:05 GMT 2023
Code System Code Type Description
PUBCHEM
92135933
Created by admin on Sat Dec 16 12:49:05 GMT 2023 , Edited by admin on Sat Dec 16 12:49:05 GMT 2023
PRIMARY
CAS
1467606-11-6
Created by admin on Sat Dec 16 12:49:05 GMT 2023 , Edited by admin on Sat Dec 16 12:49:05 GMT 2023
PRIMARY
FDA UNII
ZHR6WM1ADJ
Created by admin on Sat Dec 16 12:49:05 GMT 2023 , Edited by admin on Sat Dec 16 12:49:05 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY