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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16F3N3O5S
Molecular Weight 431.386
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BTZ-043

SMILES

C[C@H]1COC2(CCN(CC2)C3=NC(=O)C4=CC(=CC(=C4S3)[N+]([O-])=O)C(F)(F)F)O1

InChI

InChIKey=GTUIRORNXIOHQR-VIFPVBQESA-N
InChI=1S/C17H16F3N3O5S/c1-9-8-27-16(28-9)2-4-22(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(23(25)26)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H16F3N3O5S
Molecular Weight 431.386
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 04:40:31 UTC 2023
Edited
by admin
on Sat Dec 16 04:40:31 UTC 2023
Record UNII
G55ZH52P57
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BTZ-043
Common Name English
BTZ-10526043
Code English
BZT043
Common Name English
2-((2S)-2-METHYL-1,4-DIOXA-8-AZASPIRO(4.5)DECAN-8-YL)-8-NITRO-6-TRIFLUOROMETHYL-4H-1,3-BENZOTHIAZIN-4-ONE
Systematic Name English
4H-1,3-BENZOTHIAZIN-4-ONE, 2-((2S)-2-METHYL-1,4-DIOXA-8-AZASPIRO(4.5)DEC-8-YL)-8-NITRO-6-(TRIFLUOROMETHYL)-
Systematic Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/18/2029
Created by admin on Sat Dec 16 04:40:31 UTC 2023 , Edited by admin on Sat Dec 16 04:40:31 UTC 2023
FDA ORPHAN DRUG 630318
Created by admin on Sat Dec 16 04:40:31 UTC 2023 , Edited by admin on Sat Dec 16 04:40:31 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID80151286
Created by admin on Sat Dec 16 04:40:31 UTC 2023 , Edited by admin on Sat Dec 16 04:40:31 UTC 2023
PRIMARY
CAS
1161233-85-7
Created by admin on Sat Dec 16 04:40:31 UTC 2023 , Edited by admin on Sat Dec 16 04:40:31 UTC 2023
PRIMARY
FDA UNII
G55ZH52P57
Created by admin on Sat Dec 16 04:40:31 UTC 2023 , Edited by admin on Sat Dec 16 04:40:31 UTC 2023
PRIMARY
PUBCHEM
42609849
Created by admin on Sat Dec 16 04:40:31 UTC 2023 , Edited by admin on Sat Dec 16 04:40:31 UTC 2023
PRIMARY
SMS_ID
300000010623
Created by admin on Sat Dec 16 04:40:31 UTC 2023 , Edited by admin on Sat Dec 16 04:40:31 UTC 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
Related Record Type Details
ACTIVE MOIETY