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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H13F2N5O2
Molecular Weight 345.3035
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-[(2R)-2-(2,5-Difluorophenyl)-1-pyrrolidinyl]-3-nitropyrazolo[1,5-a]pyrimidine

SMILES

[H][C@@]1(CCCN1C2=NC3=C(C=NN3C=C2)[N+]([O-])=O)C4=C(F)C=CC(F)=C4

InChI

InChIKey=ZVNXKHRULOZLHG-CYBMUJFWSA-N
InChI=1S/C16H13F2N5O2/c17-10-3-4-12(18)11(8-10)13-2-1-6-21(13)15-5-7-22-16(20-15)14(9-19-22)23(24)25/h3-5,7-9,13H,1-2,6H2/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H13F2N5O2
Molecular Weight 345.3035
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:32:59 GMT 2023
Edited
by admin
on Sat Dec 16 19:32:59 GMT 2023
Record UNII
HK74TQK39R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-[(2R)-2-(2,5-Difluorophenyl)-1-pyrrolidinyl]-3-nitropyrazolo[1,5-a]pyrimidine
Systematic Name English
Larotrectinib DFP-PNPP Impurity
Common Name English
Pyrazolo[1,5-a]pyrimidine, 5-[(2R)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]-3-nitro-
Systematic Name English
Code System Code Type Description
CAS
1223404-90-7
Created by admin on Sat Dec 16 19:32:59 GMT 2023 , Edited by admin on Sat Dec 16 19:32:59 GMT 2023
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EPA CompTox
DTXSID301136532
Created by admin on Sat Dec 16 19:32:59 GMT 2023 , Edited by admin on Sat Dec 16 19:32:59 GMT 2023
PRIMARY
PUBCHEM
67329819
Created by admin on Sat Dec 16 19:32:59 GMT 2023 , Edited by admin on Sat Dec 16 19:32:59 GMT 2023
PRIMARY
FDA UNII
HK74TQK39R
Created by admin on Sat Dec 16 19:32:59 GMT 2023 , Edited by admin on Sat Dec 16 19:32:59 GMT 2023
PRIMARY