2-HYDROXY-LONAFARNIB, (1-PIPERIDINECARBOXAMIDE RING)

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)

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)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 `Wed Apr 02 06:48:38 GMT 2025` Edited by `admin` on `Wed Apr 02 06:48:38 GMT 2025`
Record UNII	J8HBS2S2PW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-HYDROXY-LONAFARNIB, (1-PIPERIDINECARBOXAMIDE RING)

Common Name

English

LONAFARNIB METABOLITE A

Preferred 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

Code System Code Type Description

PUBCHEM

11296736

Created by admin on Wed Apr 02 06:48:38 GMT 2025 , Edited by admin on Wed Apr 02 06:48:38 GMT 2025

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CAS

817202-01-0

Created by admin on Wed Apr 02 06:48:38 GMT 2025 , Edited by admin on Wed Apr 02 06:48:38 GMT 2025

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FDA UNII

J8HBS2S2PW

Created by admin on Wed Apr 02 06:48:38 GMT 2025 , Edited by admin on Wed Apr 02 06:48:38 GMT 2025

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Related Record Type Details


					IOW153004F

LONAFARNIB

PARENT -> METABOLITE