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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H31F3N8O8S2.2ClH
Molecular Weight 837.674
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of RO-23-9424 DIHYDROCHLORIDE

SMILES

Cl.Cl.[H][C@]12SCC(COC(=O)C3=CN(CCF)C4=C(F)C(N5CCN(C)CC5)=C(F)C=C4C3=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C6=CSC(N)=N6)C(O)=O

InChI

InChIKey=DSGXXSRGPIYUHF-ZVOUVGCISA-N
InChI=1S/C31H31F3N8O8S2.2ClH/c1-39-5-7-40(8-6-39)24-17(33)9-15-23(19(24)34)41(4-3-32)10-16(25(15)43)30(48)50-11-14-12-51-28-21(27(45)42(28)22(14)29(46)47)37-26(44)20(38-49-2)18-13-52-31(35)36-18;;/h9-10,13,21,28H,3-8,11-12H2,1-2H3,(H2,35,36)(H,37,44)(H,46,47);2*1H/b38-20-;;/t21-,28-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
RO-23-9424 DIHYDROCHLORIDE
Common Name English
RO-239424 DIHYDROCHLORIDE
Code English
Code System Code Type Description
PUBCHEM
9690113
Created by admin on Fri Dec 15 15:39:40 UTC 2023 , Edited by admin on Fri Dec 15 15:39:40 UTC 2023
PRIMARY
FDA UNII
PL877312XZ
Created by admin on Fri Dec 15 15:39:40 UTC 2023 , Edited by admin on Fri Dec 15 15:39:40 UTC 2023
PRIMARY
CAS
139263-69-7
Created by admin on Fri Dec 15 15:39:40 UTC 2023 , Edited by admin on Fri Dec 15 15:39:40 UTC 2023
PRIMARY