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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H4Cl4I4O5
Molecular Weight 989.679
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROSE BENGAL I-131

SMILES

OC(=O)C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C2=C3C=C([131I])C(=O)C([131I])=C3OC4=C([131I])C(O)=C([131I])C=C24

InChI

InChIKey=VDNLFJGJEQUWRB-CJXAGYTBSA-N
InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)/i25+4,26+4,27+4,28+4

HIDE SMILES / InChI

Approval Year

Name Type Language
ROSE BENGAL I-131
Common Name English
Code System Code Type Description
FDA UNII
MKF129JIZX
Created by admin on Fri Dec 15 16:21:51 UTC 2023 , Edited by admin on Fri Dec 15 16:21:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID201027499
Created by admin on Fri Dec 15 16:21:51 UTC 2023 , Edited by admin on Fri Dec 15 16:21:51 UTC 2023
PRIMARY
CAS
99689-97-1
Created by admin on Fri Dec 15 16:21:51 UTC 2023 , Edited by admin on Fri Dec 15 16:21:51 UTC 2023
PRIMARY
CAS
42352-53-4
Created by admin on Fri Dec 15 16:21:51 UTC 2023 , Edited by admin on Fri Dec 15 16:21:51 UTC 2023
ALTERNATIVE
PUBCHEM
31833
Created by admin on Fri Dec 15 16:21:51 UTC 2023 , Edited by admin on Fri Dec 15 16:21:51 UTC 2023
PRIMARY