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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H21N7O4S.C5H8O3
Molecular Weight 547.584
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIODAZOSIN LEVULINATE

SMILES

CC(=O)CCC(O)=O.COC1=CC2=NC(=NC(N)=C2C=C1OC)N3CCN(CC3)C(=O)C4=NN=C(O4)SC

InChI

InChIKey=NIDVOMJMOVCWQI-UHFFFAOYSA-N
InChI=1S/C18H21N7O4S.C5H8O3/c1-27-12-8-10-11(9-13(12)28-2)20-17(21-14(10)19)25-6-4-24(5-7-25)16(26)15-22-23-18(29-15)30-3;1-4(6)2-3-5(7)8/h8-9H,4-7H2,1-3H3,(H2,19,20,21);2-3H2,1H3,(H,7,8)

HIDE SMILES / InChI

Molecular Formula C5H8O3
Molecular Weight 116.1152
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H21N7O4S
Molecular Weight 431.469
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 Fri Dec 15 15:00:01 UTC 2023
Edited
by admin
on Fri Dec 15 15:00:01 UTC 2023
Record UNII
21CC6UVV2J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIODAZOSIN LEVULINATE
Common Name English
BR-5111R
Code English
PENTANOIC ACID, 4-OXO-, COMPD. WITH (4-(4-AMINO-6,7-DIMETHOXY-2-QUINAZOLINYL)-1-PIPERAZINYL)(5-(METHYLTHIO)-1,3,4-OXADIAZOL-2-YL)METHANONE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
21312538
Created by admin on Fri Dec 15 15:00:01 UTC 2023 , Edited by admin on Fri Dec 15 15:00:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID20998117
Created by admin on Fri Dec 15 15:00:01 UTC 2023 , Edited by admin on Fri Dec 15 15:00:01 UTC 2023
PRIMARY
FDA UNII
21CC6UVV2J
Created by admin on Fri Dec 15 15:00:01 UTC 2023 , Edited by admin on Fri Dec 15 15:00:01 UTC 2023
PRIMARY
CAS
76798-65-7
Created by admin on Fri Dec 15 15:00:01 UTC 2023 , Edited by admin on Fri Dec 15 15:00:01 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY