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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H16FN3O2S.C4H4O4
Molecular Weight 461.463
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of VONOPRAZAN FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CNCC1=CN(C(=C1)C2=C(F)C=CC=C2)S(=O)(=O)C3=CC=CN=C3

InChI

InChIKey=ROGSHYHKHPCCJW-WLHGVMLRSA-N
InChI=1S/C17H16FN3O2S.C4H4O4/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14;5-3(6)1-2-4(7)8/h2-9,11-12,19H,10H2,1H3;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 C17H16FN3O2S
Molecular Weight 345.391
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 01:55:11 UTC 2023
Edited
by admin
on Sat Dec 16 01:55:11 UTC 2023
Record UNII
4QW3X4AMLB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VONOPRAZAN FUMARATE
Common Name English
TAK-438
Code English
VOCINTI
Brand Name English
VONOPRAZAN MONOFUMARATE
Common Name English
VONOPRAZAN FUMARATE [JAN]
Common Name English
VOQUEZNA
Brand Name English
1H-PYRROLE-3-METHANAMINE, 5-(2-FLUOROPHENYL)-N-METHYL-1-(3-PYRIDINYLSULFONYL)-, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
TAKECAB
Brand Name English
TAK 438
Common Name English
VONOPRAZAN FUMARATE [MI]
Common Name English
TAK-438 MONOFUMARATE
Code English
Vonoprazan fumarate [WHO-DD]
Common Name English
Code System Code Type Description
RXCUI
2604576
Created by admin on Sat Dec 16 01:55:11 UTC 2023 , Edited by admin on Sat Dec 16 01:55:11 UTC 2023
PRIMARY
EVMPD
SUB181653
Created by admin on Sat Dec 16 01:55:11 UTC 2023 , Edited by admin on Sat Dec 16 01:55:11 UTC 2023
PRIMARY
FDA UNII
4QW3X4AMLB
Created by admin on Sat Dec 16 01:55:11 UTC 2023 , Edited by admin on Sat Dec 16 01:55:11 UTC 2023
PRIMARY
DAILYMED
4QW3X4AMLB
Created by admin on Sat Dec 16 01:55:11 UTC 2023 , Edited by admin on Sat Dec 16 01:55:11 UTC 2023
PRIMARY
EVMPD
SUB88193
Created by admin on Sat Dec 16 01:55:11 UTC 2023 , Edited by admin on Sat Dec 16 01:55:11 UTC 2023
PRIMARY
CAS
1260141-27-2
Created by admin on Sat Dec 16 01:55:11 UTC 2023 , Edited by admin on Sat Dec 16 01:55:11 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
SMS_ID
100000139518
Created by admin on Sat Dec 16 01:55:11 UTC 2023 , Edited by admin on Sat Dec 16 01:55:11 UTC 2023
PRIMARY
CAS
881681-01-2
Created by admin on Sat Dec 16 01:55:11 UTC 2023 , Edited by admin on Sat Dec 16 01:55:11 UTC 2023
PRIMARY
PUBCHEM
45375887
Created by admin on Sat Dec 16 01:55:11 UTC 2023 , Edited by admin on Sat Dec 16 01:55:11 UTC 2023
PRIMARY
MERCK INDEX
m11860
Created by admin on Sat Dec 16 01:55:11 UTC 2023 , Edited by admin on Sat Dec 16 01:55:11 UTC 2023
PRIMARY
NCI_THESAURUS
C151949
Created by admin on Sat Dec 16 01:55:11 UTC 2023 , Edited by admin on Sat Dec 16 01:55:11 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY