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

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H44IN2O12P
Molecular Weight 806.5762
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RISAD-P

SMILES

[H][C@@]12CC[C@H](OC(=O)CCC(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)N4C=C(I)C(=O)NC4=O)[C@@]1(C)CC[C@@]5([H])[C@@]2([H])CC[C@@]6([H])CC(=O)CC[C@]56C

InChI

InChIKey=QYYKQPBRFARZNN-MZKWEORMSA-N
InChI=1S/C32H44IN2O12P/c1-31-11-9-18(36)13-17(31)3-4-19-20-5-6-25(32(20,2)12-10-21(19)31)47-28(38)8-7-27(37)46-23-14-26(45-24(23)16-44-48(41,42)43)35-15-22(33)29(39)34-30(35)40/h15,17,19-21,23-26H,3-14,16H2,1-2H3,(H,34,39,40)(H2,41,42,43)/t17-,19-,20-,21-,23-,24+,25-,26+,31-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H44IN2O12P
Molecular Weight 806.5762
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:58:59 GMT 2023
Edited
by admin
on Sat Dec 16 14:58:59 GMT 2023
Record UNII
YF0WVD4UKZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RISAD-P
Common Name English
5'-URIDYLIC ACID, 2'-DEOXY-5-IODO-, 3'-(4-((5.ALPHA.,17.BETA.)-3-OXOANDROSTAN-17-YL) BUTANEDIOATE)
Common Name English
5-IODINE-3'-O(17.BETA.SUCCINYL-5-.ALPHA.ANDROSTAN-3-ONE)-2'-DEOXYURIDIN5YL PHOSPHATE
Systematic Name English
Code System Code Type Description
FDA UNII
YF0WVD4UKZ
Created by admin on Sat Dec 16 14:59:00 GMT 2023 , Edited by admin on Sat Dec 16 14:59:00 GMT 2023
PRIMARY
PUBCHEM
44234673
Created by admin on Sat Dec 16 14:59:00 GMT 2023 , Edited by admin on Sat Dec 16 14:59:00 GMT 2023
PRIMARY
CAS
1182735-51-8
Created by admin on Sat Dec 16 14:59:00 GMT 2023 , Edited by admin on Sat Dec 16 14:59:00 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
LABELED -> NON-LABELED