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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H19FN6O2
Molecular Weight 406.413
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LORLATINIB

SMILES

C[C@H]1OC2=CC(=CN=C2N)C3=C(C#N)N(C)N=C3CN(C)C(=O)C4=C1C=C(F)C=C4

InChI

InChIKey=IIXWYSCJSQVBQM-LLVKDONJSA-N
InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H19FN6O2
Molecular Weight 406.413
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Mar 06 11:01:57 UTC 2018
Edited
by admin
on Tue Mar 06 11:01:57 UTC 2018
Record UNII
OSP71S83EU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LORLATINIB
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
LORLATINIB [WHO-DD]
Common Name English
PF-06463922
Code English
LORLATINIB [INN]
Common Name English
(10R)-7-AMINO-12-FLUORO-2,10,16-TRIMETHYL-15-OXO-10,15,16,17-TETRAHYDRO-2H-4,8- METHENOPYRAZOLO(4,3-H)(2,5,11)BENZOXADIAZACYCLOTETRADECINE-3-CARBONITRILE
Systematic Name English
LORLATINIB [USAN]
Common Name English
2H-4,8-METHENOPYRAZOLO(4,3-H)(2,5,11)BENZOXADIAZACYCLOTETRADECINE-3-CARBONITRILE, 7-AMINO-12-FLUORO-10,15,16,17-TETRAHYDRO-2,10,16-TRIMETHYL-15-OXO-, (10R)-
Systematic Name English
Code System Code Type Description
CAS
1454846-35-5
Created by admin on Tue Mar 06 11:01:57 UTC 2018 , Edited by admin on Tue Mar 06 11:01:57 UTC 2018
PRIMARY
NCI_THESAURUS
C113655
Created by admin on Tue Mar 06 11:01:57 UTC 2018 , Edited by admin on Tue Mar 06 11:01:57 UTC 2018
PRIMARY
INN
10278
Created by admin on Tue Mar 06 11:01:57 UTC 2018 , Edited by admin on Tue Mar 06 11:01:57 UTC 2018
PRIMARY
PUBCHEM
71731823
Created by admin on Tue Mar 06 11:01:57 UTC 2018 , Edited by admin on Tue Mar 06 11:01:57 UTC 2018
PRIMARY SWITZERF
ChEMBL
CHEMBL3286830
Created by admin on Tue Mar 06 11:01:57 UTC 2018 , Edited by admin on Tue Mar 06 11:01:57 UTC 2018
PRIMARY
EVMPD
SUB181272
Created by admin on Tue Mar 06 11:01:57 UTC 2018 , Edited by admin on Tue Mar 06 11:01:57 UTC 2018
PRIMARY
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TARGET -> INHIBITOR
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ACTIVE MOIETY