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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38N10O14P2S2
Molecular Weight 876.748
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORI-7170

SMILES

CC1=CN([C@H]2C[C@H](OP(S)(=O)OC[C@H]3O[C@H](C[C@@H]3O)N4C=NC5=C(N)N=CN=C45)[C@@H](COP(S)(=O)O[C@H]6C[C@@H](O[C@@H]6CO)N7C=CC(N)=NC7=O)O2)C(=O)NC1=O

InChI

InChIKey=QLAVHTXREMEJLM-DYTVHUQLSA-N
InChI=1S/C29H38N10O14P2S2/c1-13-7-38(29(44)36-27(13)42)23-6-16(53-54(45,56)47-9-18-14(41)4-21(50-18)39-12-34-24-25(31)32-11-33-26(24)39)19(51-23)10-48-55(46,57)52-15-5-22(49-17(15)8-40)37-3-2-20(30)35-28(37)43/h2-3,7,11-12,14-19,21-23,40-41H,4-6,8-10H2,1H3,(H,45,56)(H,46,57)(H2,30,35,43)(H2,31,32,33)(H,36,42,44)/t14-,15-,16-,17+,18+,19+,21+,22+,23+,54?,55?/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H38N10O14P2S2
Molecular Weight 876.748
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:54:27 GMT 2023
Edited
by admin
on Fri Dec 15 18:54:27 GMT 2023
Record UNII
S9DVQ962JZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORI-7170
Common Name English
2'-DEOXY-P-THIOCYTIDYLYL-(3'->5')-P-THIOTHYMIDYLYL-(3'->5')-2'-DEOXYADENOSINE
Systematic Name English
ADENOSINE, 2'-DEOXY-P-THIOCYTIDYLYL-(3'->5')-P-THIOTHYMIDYLYL-(3'->5')-2'-DEOXY-
Systematic Name English
Code System Code Type Description
CAS
475650-35-2
Created by admin on Fri Dec 15 18:54:27 GMT 2023 , Edited by admin on Fri Dec 15 18:54:27 GMT 2023
PRIMARY
PUBCHEM
10213063
Created by admin on Fri Dec 15 18:54:27 GMT 2023 , Edited by admin on Fri Dec 15 18:54:27 GMT 2023
PRIMARY
FDA UNII
S9DVQ962JZ
Created by admin on Fri Dec 15 18:54:27 GMT 2023 , Edited by admin on Fri Dec 15 18:54:27 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY