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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H26ClF2N5O2.C4H11N
Molecular Weight 563.082
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AK-01 ERBUMINE

SMILES

CC(C)(C)N.C[C@@H]1C[C@@](CC2=NC(NC3=NNC(C)=C3)=CC=C2F)(CCN1CC4=CC=CC(Cl)=C4F)C(O)=O

InChI

InChIKey=NDMQCGPEDPLXAO-GYKIMTNYSA-N
InChI=1S/C24H26ClF2N5O2.C4H11N/c1-14-10-21(31-30-14)29-20-7-6-18(26)19(28-20)12-24(23(33)34)8-9-32(15(2)11-24)13-16-4-3-5-17(25)22(16)27;1-4(2,3)5/h3-7,10,15H,8-9,11-13H2,1-2H3,(H,33,34)(H2,28,29,30,31);5H2,1-3H3/t15-,24-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C4H11N
Molecular Weight 73.1368
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H26ClF2N5O2
Molecular Weight 489.945
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 14:36:10 GMT 2023
Edited
by admin
on Sat Dec 16 14:36:10 GMT 2023
Record UNII
A7TCD5V515
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AK-01 ERBUMINE
Code English
LY-3295668 ERBUMINE
Code English
4-Piperidinecarboxylic acid, 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methyl-, compd. with 2-methyl-2-propanamine (1:1), (2R,4R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
146597589
Created by admin on Sat Dec 16 14:36:10 GMT 2023 , Edited by admin on Sat Dec 16 14:36:10 GMT 2023
PRIMARY
FDA UNII
A7TCD5V515
Created by admin on Sat Dec 16 14:36:10 GMT 2023 , Edited by admin on Sat Dec 16 14:36:10 GMT 2023
PRIMARY
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