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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26IN3O7
Molecular Weight 535.3301
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IOFOLASTAT

SMILES

OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCC1=CC=C(I)C=C1)C(O)=O)C(O)=O

InChI

InChIKey=OXUUJYOSVPMNKP-GJZGRUSLSA-N
InChI=1S/C19H26IN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H26IN3O7
Molecular Weight 535.3301
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:46:15 GMT 2023
Edited
by admin
on Sat Dec 16 01:46:15 GMT 2023
Record UNII
9T6EBU5ER1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IOFOLASTAT
Common Name English
L-GLUTAMIC ACID, N-((((1S)-1-CARBOXY-5-(((4-IODOPHENYL)METHYL)AMINO)PENTYL)AMINO)CARBONYL)-
Common Name English
Code System Code Type Description
FDA UNII
9T6EBU5ER1
Created by admin on Sat Dec 16 01:46:15 GMT 2023 , Edited by admin on Sat Dec 16 01:46:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID40241697
Created by admin on Sat Dec 16 01:46:15 GMT 2023 , Edited by admin on Sat Dec 16 01:46:15 GMT 2023
PRIMARY
PUBCHEM
24951655
Created by admin on Sat Dec 16 01:46:15 GMT 2023 , Edited by admin on Sat Dec 16 01:46:15 GMT 2023
PRIMARY
CAS
949575-20-6
Created by admin on Sat Dec 16 01:46:15 GMT 2023 , Edited by admin on Sat Dec 16 01:46:15 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED