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Details

Stereochemistry ACHIRAL
Molecular Formula C27H22F2N4O.ClH
Molecular Weight 492.948
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Paltusotine Hydrochloride

SMILES

Cl.NC1CCN(CC1)C2=C(C=NC3=CC=C(C=C23)C4=C(O)C(=CC=C4)C#N)C5=CC(F)=CC(F)=C5

InChI

InChIKey=BPVXAUKYSITSMT-UHFFFAOYSA-N
InChI=1S/C27H22F2N4O.ClH/c28-19-10-18(11-20(29)13-19)24-15-32-25-5-4-16(22-3-1-2-17(14-30)27(22)34)12-23(25)26(24)33-8-6-21(31)7-9-33;/h1-5,10-13,15,21,34H,6-9,31H2;1H

HIDE SMILES / InChI

Approval Year

Name Type Language
Paltusotine Hydrochloride
USAN  
Official Name English
PALTUSOTINE HYDROCHLORIDE [USAN]
Common Name English
CRN-00808 HYDROCHLORIDE
Code English
3-[4-(4-Amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl]-2-hydroxybenzonitrile hydrochloride
Systematic Name English
Benzonitrile, 3-[4-(4-amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl]-2-hydroxy-, hydrochloride (1:1)
Systematic Name English
3-[4-(4-Aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-hydroxybenzonitrile hydrochloride
Systematic Name English
Code System Code Type Description
CAS
2361216-83-1
Created by admin on Sat Dec 16 14:46:12 UTC 2023 , Edited by admin on Sat Dec 16 14:46:12 UTC 2023
PRIMARY
NCI_THESAURUS
C191869
Created by admin on Sat Dec 16 14:46:12 UTC 2023 , Edited by admin on Sat Dec 16 14:46:12 UTC 2023
PRIMARY
PUBCHEM
139299805
Created by admin on Sat Dec 16 14:46:12 UTC 2023 , Edited by admin on Sat Dec 16 14:46:12 UTC 2023
PRIMARY
SMS_ID
300000011909
Created by admin on Sat Dec 16 14:46:12 UTC 2023 , Edited by admin on Sat Dec 16 14:46:12 UTC 2023
PRIMARY
FDA UNII
FZT5Z83JNS
Created by admin on Sat Dec 16 14:46:12 UTC 2023 , Edited by admin on Sat Dec 16 14:46:12 UTC 2023
PRIMARY
USAN
KL-183
Created by admin on Sat Dec 16 14:46:12 UTC 2023 , Edited by admin on Sat Dec 16 14:46:12 UTC 2023
PRIMARY