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-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H29Br2ClN4O2
Molecular Weight	636.806
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-

Structure Search

SMILES

NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]3C4=C(CCC5=C3C(Br)=CC(Cl)=C5)C=C(Br)C=N4)C=C1

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	636.806
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 Dec 16 15:31:17 GMT 2023` Edited by `admin` on `Sat Dec 16 15:31:17 GMT 2023`
Record UNII	C0533KA81Q
Record Status	`Validated (UNII)`
Record Version

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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 Dec 16 15:31:17 GMT 2023 , Edited by admin on Sat Dec 16 15:31:17 GMT 2023

PRIMARY

FDA UNII

C0533KA81Q

Created by admin on Sat Dec 16 15:31:17 GMT 2023 , Edited by admin on Sat Dec 16 15:31:17 GMT 2023

PRIMARY

CAS

817202-00-9

Created by admin on Sat Dec 16 15:31:17 GMT 2023 , Edited by admin on Sat Dec 16 15:31:17 GMT 2023

PRIMARY

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