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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H29Br2ClN4O2
Molecular Weight 636.8058
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1(2H)-PYRIDINECARBOXAMIDE, 4-(2-(4-((11R)-3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDIN-11-YL)-1-PIPERIDINYL)-2-OXOETHYL)-3,4-DIHYDRO-

SMILES

C1Cc2cc(cnc2[C@]([H])(C3CCN(CC3)C(=O)CC4([H])C=CN(CC4)C(=N)O)c5c1cc(cc5Br)Cl)Br

InChI

InChIKey=LFMHBVCTCNNODE-ZRSRXRGLSA-N
InChI=1S/C27H29Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h3,7,12-17,25H,1-2,4-6,8-11H2,(H2,31,36)/t16?,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H29Br2ClN4O2
Molecular Weight 636.8058
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 09:02:55 UTC 2021
Edited
by admin
on Sat Jun 26 09:02:55 UTC 2021
Record UNII
C0533KA81Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1(2H)-PYRIDINECARBOXAMIDE, 4-(2-(4-((11R)-3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDIN-11-YL)-1-PIPERIDINYL)-2-OXOETHYL)-3,4-DIHYDRO-
Systematic Name English
LONAFARNIB METABOLITE M2
Common Name English
4-(2-(4-((11R)-3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDIN-11-YL)-1-PIPERIDINYL)-2-OXOETHYL)-3,4-DIHYDRO-1(2H)-PYRIDINECARBOXAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
11215851
Created by admin on Sat Jun 26 09:02:55 UTC 2021 , Edited by admin on Sat Jun 26 09:02:55 UTC 2021
PRIMARY
FDA UNII
C0533KA81Q
Created by admin on Sat Jun 26 09:02:55 UTC 2021 , Edited by admin on Sat Jun 26 09:02:55 UTC 2021
PRIMARY
CAS
817202-00-9
Created by admin on Sat Jun 26 09:02:55 UTC 2021 , Edited by admin on Sat Jun 26 09:02:55 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE