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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34F3N5O3.ClH
Molecular Weight 558.036
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Exarafenib hydrochloride

SMILES

Cl.C[C@H](CO)NC1=NC(=CC(=C1)C2=C(C)C=CC(NC(=O)N3CC[C@@H](CC(F)(F)F)C3)=C2)N4CCOCC4

InChI

InChIKey=DTAKPQLNXDAFGP-VOMIJIAVSA-N
InChI=1S/C26H34F3N5O3.ClH/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33;/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36);1H/t18-,19+;/m1./s1

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 C26H34F3N5O3
Molecular Weight 521.5751
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 18:52:29 UTC 2023
Edited
by admin
on Sat Dec 16 18:52:29 UTC 2023
Record UNII
5RHX544GEH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Exarafenib hydrochloride
Common Name English
KIN-2787
Code English
N-[3-[2-[(1R)-1-Hydroxypropan-2-ylamino]-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl]-(3S)-3-(2,2,2-trifluoroethyl)-1-pyrrolidine carboxamide hydrochloride
Systematic Name English
1-Pyrrolidinecarboxamide, N-[3-[2-[[(1R)-2-hydroxy-1-methylethyl]amino]-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)-, (3S)-, hydrochloride
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 854521
Created by admin on Sat Dec 16 18:52:29 UTC 2023 , Edited by admin on Sat Dec 16 18:52:29 UTC 2023
Code System Code Type Description
FDA UNII
5RHX544GEH
Created by admin on Sat Dec 16 18:52:29 UTC 2023 , Edited by admin on Sat Dec 16 18:52:29 UTC 2023
PRIMARY
PUBCHEM
165412111
Created by admin on Sat Dec 16 18:52:29 UTC 2023 , Edited by admin on Sat Dec 16 18:52:29 UTC 2023
PRIMARY
SMS_ID
300000039593
Created by admin on Sat Dec 16 18:52:29 UTC 2023 , Edited by admin on Sat Dec 16 18:52:29 UTC 2023
PRIMARY
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