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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12FN3O4.H3O4P
Molecular Weight 355.2136
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RODUCITABINE PHOSPHATE

SMILES

OP(O)(O)=O.NC1=NC(=O)N(C=C1)[C@H]2[C@H](O)[C@H](O)C(CO)=C2F

InChI

InChIKey=LWGDFVPZVTXIJI-ZXKHYXLDSA-N
InChI=1S/C10H12FN3O4.H3O4P/c11-6-4(3-15)8(16)9(17)7(6)14-2-1-5(12)13-10(14)18;1-5(2,3)4/h1-2,7-9,15-17H,3H2,(H2,12,13,18);(H3,1,2,3,4)/t7-,8-,9+;/m1./s1

HIDE SMILES / InChI

Molecular Formula H3O4P
Molecular Weight 97.9952
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H12FN3O4
Molecular Weight 257.2184
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:10:31 UTC 2023
Edited
by admin
on Sat Dec 16 16:10:31 UTC 2023
Record UNII
OI4W90U6CR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RODUCITABINE PHOSPHATE
Common Name English
RX-3117 PHOSPHATE
Code English
TV-1360 PHOSPHATE
Code English
FLUOROCYCLOPENTENYLCYTOSINE PHOSPHATE
Common Name English
2(1H)-PYRIMIDINONE, 4-AMINO-1-((1S,4R,5S)-2-FLUORO-4,5-DIHYDROXY-3-(HYDROXYMETHYL)-2-CYCLOPENTEN-1-YL)-, PHOSPHATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
OI4W90U6CR
Created by admin on Sat Dec 16 16:10:31 UTC 2023 , Edited by admin on Sat Dec 16 16:10:31 UTC 2023
PRIMARY
PUBCHEM
154572832
Created by admin on Sat Dec 16 16:10:31 UTC 2023 , Edited by admin on Sat Dec 16 16:10:31 UTC 2023
PRIMARY
CAS
2055311-35-6
Created by admin on Sat Dec 16 16:10:31 UTC 2023 , Edited by admin on Sat Dec 16 16:10:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY