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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12I3NO2
Molecular Weight 570.9319
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IOPANOIC ACID, (-)-

SMILES

CC[C@H](CC1=C(I)C(N)=C(I)C=C1I)C(O)=O

InChI

InChIKey=OIRFJRBSRORBCM-RXMQYKEDSA-N
InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)/t5-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H12I3NO2
Molecular Weight 570.9319
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 10:04:20 UTC 2023
Edited
by admin
on Sat Dec 16 10:04:20 UTC 2023
Record UNII
13E1A4J3WF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IOPANOIC ACID, (-)-
Common Name English
IOPANOIC ACID L-FORM [MI]
Common Name English
BENZENEPROPANOIC ACID, 3-AMINO-.ALPHA.-ETHYL-2,4,6-TRIIODO-, (.ALPHA.R)-
Systematic Name English
3-AMINO-.ALPHA.-ETHYL-2,4,6-TRIIODOHYDROCINNAMIC ACID, (-)-
Common Name English
IOPANOIC ACID, (R)-
Common Name English
Code System Code Type Description
FDA UNII
13E1A4J3WF
Created by admin on Sat Dec 16 10:04:20 UTC 2023 , Edited by admin on Sat Dec 16 10:04:20 UTC 2023
PRIMARY
PUBCHEM
6604220
Created by admin on Sat Dec 16 10:04:20 UTC 2023 , Edited by admin on Sat Dec 16 10:04:20 UTC 2023
PRIMARY
CAS
17879-97-9
Created by admin on Sat Dec 16 10:04:20 UTC 2023 , Edited by admin on Sat Dec 16 10:04:20 UTC 2023
PRIMARY
MERCK INDEX
m6371
Created by admin on Sat Dec 16 10:04:20 UTC 2023 , Edited by admin on Sat Dec 16 10:04:20 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID40904674
Created by admin on Sat Dec 16 10:04:20 UTC 2023 , Edited by admin on Sat Dec 16 10:04:20 UTC 2023
PRIMARY
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