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

Details

Stereochemistry EPIMERIC
Molecular Formula C25H34N7O13PS
Molecular Weight 703.615
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INARIGIVIR SOPROXIL

SMILES

CO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@H](C[C@@H]2O)N3C=NC4=C(N)N=CN=C34)SCOC(=O)OC(C)C)[C@@H](CO)O[C@H]1N5C=CC(=O)NC5=O

InChI

InChIKey=CJCYTUJOSMYXLE-JDLSZIHUSA-N
InChI=1S/C25H34N7O13PS/c1-12(2)42-25(37)40-11-47-46(38,45-19-14(7-33)44-23(20(19)39-3)31-5-4-16(35)30-24(31)36)41-8-15-13(34)6-17(43-15)32-10-29-18-21(26)27-9-28-22(18)32/h4-5,9-10,12-15,17,19-20,23,33-34H,6-8,11H2,1-3H3,(H2,26,27,28)(H,30,35,36)/t13-,14+,15+,17+,19+,20+,23+,46?/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H34N7O13PS
Molecular Weight 703.615
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:27:57 GMT 2023
Edited
by admin
on Sat Dec 16 13:27:57 GMT 2023
Record UNII
365052M0DK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INARIGIVIR SOPROXIL
INN  
USAN   INN  
Official Name English
ADENOSINE, 2'-O-METHYL-P(S)-((((1-METHYLETHOXY)CARBONYL)OXY)METHYL)-P-THIOURIDYLYL-(3'->5')-2'-DEOXY-
Systematic Name English
SB-44
Code English
P-AMBO-2'-O-METHYL-SP-((((PROPAN-2-YLOXY)CARBONYL)OXY)METHYL)-P-THIOURIDYLYL-(3'->5')-2'-DEOXYADENOSINE
Systematic Name English
inarigivir soproxil [INN]
Common Name English
INARIGIVIR SOPROXIL [USAN]
Common Name English
SB 9200
Code English
SB-9200
Code English
Code System Code Type Description
USAN
FG-80
Created by admin on Sat Dec 16 13:27:57 GMT 2023 , Edited by admin on Sat Dec 16 13:27:57 GMT 2023
PRIMARY
INN
10461
Created by admin on Sat Dec 16 13:27:57 GMT 2023 , Edited by admin on Sat Dec 16 13:27:57 GMT 2023
PRIMARY
NCI_THESAURUS
C166642
Created by admin on Sat Dec 16 13:27:57 GMT 2023 , Edited by admin on Sat Dec 16 13:27:57 GMT 2023
PRIMARY
DRUG BANK
DB15063
Created by admin on Sat Dec 16 13:27:57 GMT 2023 , Edited by admin on Sat Dec 16 13:27:57 GMT 2023
PRIMARY
SMS_ID
300000013422
Created by admin on Sat Dec 16 13:27:57 GMT 2023 , Edited by admin on Sat Dec 16 13:27:57 GMT 2023
PRIMARY
FDA UNII
365052M0DK
Created by admin on Sat Dec 16 13:27:57 GMT 2023 , Edited by admin on Sat Dec 16 13:27:57 GMT 2023
PRIMARY
CAS
942123-43-5
Created by admin on Sat Dec 16 13:27:57 GMT 2023 , Edited by admin on Sat Dec 16 13:27:57 GMT 2023
PRIMARY
PUBCHEM
24737742
Created by admin on Sat Dec 16 13:27:57 GMT 2023 , Edited by admin on Sat Dec 16 13:27:57 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE -> PARENT
Biotransformation by liver microsomes.
MINOR
Scientific Literature
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
ACTIVE MOIETY