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Details

Stereochemistry UNKNOWN
Molecular Formula C27H31Br2ClN4O3
Molecular Weight 654.821
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXY-LONAFARNIB, (1-PIPERIDINECARBOXAMIDE RING)

SMILES

NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]3C4=C(CCC5=C3C(Br)=CC(Cl)=C5)C=C(Br)C=N4)CC1O

InChI

InChIKey=VBSBBUQCVIVHQU-HLWXRLHASA-N
InChI=1S/C27H31Br2ClN4O3/c28-19-11-18-2-1-17-12-20(30)13-21(29)24(17)25(26(18)32-14-19)16-4-6-33(7-5-16)22(35)9-15-3-8-34(27(31)37)23(36)10-15/h11-16,23,25,36H,1-10H2,(H2,31,37)/t15?,23?,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H31Br2ClN4O3
Molecular Weight 654.821
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 21:18:58 UTC 2023
Edited
by admin
on Thu Jul 06 21:18:58 UTC 2023
Record UNII
J8HBS2S2PW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXY-LONAFARNIB, (1-PIPERIDINECARBOXAMIDE RING)
Common Name English
1-PIPERIDINECARBOXAMIDE, 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)-2-HYDROXY-
Systematic 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)-2-HYDROXY-1-PIPERIDINECARBOXAMIDE
Systematic Name English
LONAFARNIB METABOLITE A
Common Name English
Code System Code Type Description
PUBCHEM
11296736
Created by admin on Thu Jul 06 21:18:58 UTC 2023 , Edited by admin on Thu Jul 06 21:18:58 UTC 2023
PRIMARY
CAS
817202-01-0
Created by admin on Thu Jul 06 21:18:58 UTC 2023 , Edited by admin on Thu Jul 06 21:18:58 UTC 2023
PRIMARY
FDA UNII
J8HBS2S2PW
Created by admin on Thu Jul 06 21:18:58 UTC 2023 , Edited by admin on Thu Jul 06 21:18:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE