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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H15F3N6O
Molecular Weight 376.3358
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Emzeltrectinib

SMILES

NC(=O)C1=C2N=C(C=CN2N=C1N)N3C[C@@H](F)C[C@@H]3C4=C(F)C=CC(F)=C4

InChI

InChIKey=YFTARXQOKASKBW-JOYOIKCWSA-N
InChI=1S/C17H15F3N6O/c18-8-1-2-11(20)10(5-8)12-6-9(19)7-25(12)13-3-4-26-17(23-13)14(16(22)27)15(21)24-26/h1-5,9,12H,6-7H2,(H2,21,24)(H2,22,27)/t9-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H15F3N6O
Molecular Weight 376.3358
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 Fri Jul 07 00:54:05 UTC 2023
Edited
by admin
on Fri Jul 07 00:54:05 UTC 2023
Record UNII
436Z4BZ8HF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Emzeltrectinib
INN  
Official Name English
2-Amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoro-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Systematic Name English
2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]- pyrazolo[1,5-a]pyrimidine-3-carboxamide
Systematic Name English
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoro-1-pyrrolidinyl]-
Systematic Name English
emzeltrectinib [INN]
Common Name English
Code System Code Type Description
PUBCHEM
134480550
Created by admin on Fri Jul 07 00:54:06 UTC 2023 , Edited by admin on Fri Jul 07 00:54:06 UTC 2023
PRIMARY
CAS
2223678-97-3
Created by admin on Fri Jul 07 00:54:06 UTC 2023 , Edited by admin on Fri Jul 07 00:54:06 UTC 2023
PRIMARY
FDA UNII
436Z4BZ8HF
Created by admin on Fri Jul 07 00:54:06 UTC 2023 , Edited by admin on Fri Jul 07 00:54:06 UTC 2023
PRIMARY
INN
12528
Created by admin on Fri Jul 07 00:54:06 UTC 2023 , Edited by admin on Fri Jul 07 00:54:06 UTC 2023
PRIMARY
NCI_THESAURUS
C199041
Created by admin on Fri Jul 07 00:54:06 UTC 2023 , Edited by admin on Fri Jul 07 00:54:06 UTC 2023
PRIMARY