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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H14I3NO4
Molecular Weight 640.9787
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPYL DOCETRIZOATE

SMILES

CCCOC(=O)C1=C(I)C=C(I)C(N(C(C)=O)C(C)=O)=C1I

InChI

InChIKey=DEVLRUOLAOLLCZ-UHFFFAOYSA-N
InChI=1S/C14H14I3NO4/c1-4-5-22-14(21)11-9(15)6-10(16)13(12(11)17)18(7(2)19)8(3)20/h6H,4-5H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
PROPYL DOCETRIZOATE
INN  
INN  
Official Name English
propyl docetrizoate [INN]
Common Name English
PROPYL 3-DIACETYLAMINO-2,4,6-TRIIODOBENZOATE
Systematic Name English
PULMIDOL
Brand Name English
BENZOIC ACID, 3-(DIACETYLAMINO)-2,4,6-TRIIODO-, PROPYL ESTER
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C390
Created by admin on Fri Dec 15 16:28:22 UTC 2023 , Edited by admin on Fri Dec 15 16:28:22 UTC 2023
Code System Code Type Description
EVMPD
SUB10120MIG
Created by admin on Fri Dec 15 16:28:22 UTC 2023 , Edited by admin on Fri Dec 15 16:28:22 UTC 2023
PRIMARY
INN
967
Created by admin on Fri Dec 15 16:28:22 UTC 2023 , Edited by admin on Fri Dec 15 16:28:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID70204351
Created by admin on Fri Dec 15 16:28:22 UTC 2023 , Edited by admin on Fri Dec 15 16:28:22 UTC 2023
PRIMARY
FDA UNII
0B62S0B44U
Created by admin on Fri Dec 15 16:28:22 UTC 2023 , Edited by admin on Fri Dec 15 16:28:22 UTC 2023
PRIMARY
CAS
5579-08-8
Created by admin on Fri Dec 15 16:28:22 UTC 2023 , Edited by admin on Fri Dec 15 16:28:22 UTC 2023
PRIMARY
NCI_THESAURUS
C76637
Created by admin on Fri Dec 15 16:28:22 UTC 2023 , Edited by admin on Fri Dec 15 16:28:22 UTC 2023
PRIMARY
PUBCHEM
3052761
Created by admin on Fri Dec 15 16:28:22 UTC 2023 , Edited by admin on Fri Dec 15 16:28:22 UTC 2023
PRIMARY
ChEMBL
CHEMBL2105296
Created by admin on Fri Dec 15 16:28:22 UTC 2023 , Edited by admin on Fri Dec 15 16:28:22 UTC 2023
PRIMARY
SMS_ID
100000081382
Created by admin on Fri Dec 15 16:28:22 UTC 2023 , Edited by admin on Fri Dec 15 16:28:22 UTC 2023
PRIMARY