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Details

Stereochemistry ACHIRAL
Molecular Formula C25H28Cl2N4O2.ClH
Molecular Weight 523.882
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OTS-167 MONOHYDROCHLORIDE

SMILES

Cl.CN(C)C[C@H]1CC[C@@H](CC1)NC2=C(C=NC3=C2N=C(C=C3)C4=CC(Cl)=C(O)C(Cl)=C4)C(C)=O

InChI

InChIKey=XDGWHISAOWEFML-BFLZMHAMSA-N
InChI=1S/C25H28Cl2N4O2.ClH/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3;/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29);1H/t15-,17-;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C25H28Cl2N4O2
Molecular Weight 487.421
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:18:12 UTC 2023
Edited
by admin
on Sat Dec 16 11:18:12 UTC 2023
Record UNII
65P731R507
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OTS-167 MONOHYDROCHLORIDE
Common Name English
ETHANONE, 1-(6-(3,5-DICHLORO-4-HYDROXYPHENYL)-4-((TRANS-4-((DIMETHYLAMINO)METHYL)CYCLOHEXYL)AMINO)-1,5-NAPHTHYRIDIN-3-YL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
71576671
Created by admin on Sat Dec 16 11:18:12 UTC 2023 , Edited by admin on Sat Dec 16 11:18:12 UTC 2023
PRIMARY
FDA UNII
65P731R507
Created by admin on Sat Dec 16 11:18:12 UTC 2023 , Edited by admin on Sat Dec 16 11:18:12 UTC 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
OTS-167 MONOHYDROCHLORIDE
Created by admin on Sat Dec 16 11:18:12 UTC 2023 , Edited by admin on Sat Dec 16 11:18:12 UTC 2023
PRIMARY
CAS
1431698-10-0
Created by admin on Sat Dec 16 11:18:12 UTC 2023 , Edited by admin on Sat Dec 16 11:18:12 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE