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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H16F3N3O6
Molecular Weight 487.3848
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FULACIMSTAT

SMILES

CN1C(=O)OC2=CC(=CC=C12)N3C=C(C(O)=O)C(=O)N([C@@H]4CCC5=C(C=CC=C45)C(F)(F)F)C3=O

InChI

InChIKey=JDARDSVOVYVQST-MRXNPFEDSA-N
InChI=1S/C23H16F3N3O6/c1-27-17-7-5-11(9-18(17)35-22(27)34)28-10-14(20(31)32)19(30)29(21(28)33)16-8-6-12-13(16)3-2-4-15(12)23(24,25)26/h2-5,7,9-10,16H,6,8H2,1H3,(H,31,32)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H16F3N3O6
Molecular Weight 487.3848
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:54:29 GMT 2023
Edited
by admin
on Sat Dec 16 13:54:29 GMT 2023
Record UNII
VIR72PP4ZU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FULACIMSTAT
INN  
Official Name English
1-(2,3-DIHYDRO-3-METHYL-2-OXO-6-BENZOXAZOLYL)-3-((1R)-2,3-DIHYDRO-4-(TRIFLUOROMETHYL)-1H-INDEN-1-YL)-1,2,3,4-TETRAHYDRO-2,4-DIOXO-5-PYRIMIDINECARBOXYLIC ACID
Systematic Name English
BAY1142524
Code English
5-PYRIMIDINECARBOXYLIC ACID, 1-(2,3-DIHYDRO-3-METHYL-2-OXO-6-BENZOXAZOLYL)-3-((1R)-2,3-DIHYDRO-4-(TRIFLUOROMETHYL)-1H-INDEN-1-YL)-1,2,3,4-TETRAHYDRO-2,4-DIOXO-
Systematic Name English
fulacimstat [INN]
Common Name English
BAY-1142524
Code English
Code System Code Type Description
DRUG BANK
DB15085
Created by admin on Sat Dec 16 13:54:29 GMT 2023 , Edited by admin on Sat Dec 16 13:54:29 GMT 2023
PRIMARY
CAS
1488354-15-9
Created by admin on Sat Dec 16 13:54:29 GMT 2023 , Edited by admin on Sat Dec 16 13:54:29 GMT 2023
PRIMARY
PUBCHEM
91758792
Created by admin on Sat Dec 16 13:54:29 GMT 2023 , Edited by admin on Sat Dec 16 13:54:29 GMT 2023
PRIMARY
SMS_ID
300000034174
Created by admin on Sat Dec 16 13:54:29 GMT 2023 , Edited by admin on Sat Dec 16 13:54:29 GMT 2023
PRIMARY
FDA UNII
VIR72PP4ZU
Created by admin on Sat Dec 16 13:54:29 GMT 2023 , Edited by admin on Sat Dec 16 13:54:29 GMT 2023
PRIMARY
INN
10544
Created by admin on Sat Dec 16 13:54:29 GMT 2023 , Edited by admin on Sat Dec 16 13:54:29 GMT 2023
PRIMARY
NCI_THESAURUS
C170012
Created by admin on Sat Dec 16 13:54:29 GMT 2023 , Edited by admin on Sat Dec 16 13:54:29 GMT 2023
PRIMARY
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