1,1-Dimethylethyl N-[(5S,6S,9R)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-hydroxy-5H-cyclohepta[b]pyridin-5-yl]carbamate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24F2N2O3
Molecular Weight	390.4237
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1-Dimethylethyl N-[(5S,6S,9R)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-hydroxy-5H-cyclohepta[b]pyridin-5-yl]carbamate

Structure Search

SMILES

CC(C)(C)OC(=O)N[C@H]1[C@@H](CC[C@@H](O)C2=NC=CC=C12)C3=CC=CC(F)=C3F

InChI

InChIKey=YNIAAQHUSABKJA-XCRHUMRWSA-N

InChI=1S/C21H24F2N2O3/c1-21(2,3)28-20(27)25-18-13(12-6-4-8-15(22)17(12)23)9-10-16(26)19-14(18)7-5-11-24-19/h4-8,11,13,16,18,26H,9-10H2,1-3H3,(H,25,27)/t13-,16+,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H24F2N2O3
Molecular Weight	390.4237
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:05:58 GMT 2025` Edited by `admin` on `Wed Apr 02 21:05:58 GMT 2025`
Record UNII	UYX4M92ENR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-Dimethylethyl N-[(5S,6S,9R)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-hydroxy-5H-cyclohepta[b]pyridin-5-yl]carbamate

Systematic Name

English

Carbamic acid, N-[(5S,6S,9R)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-hydroxy-5H-cyclohepta[b]pyridin-5-yl]-, 1,1-dimethylethyl ester

Preferred Name

English

Code System Code Type Description

CAS

1289024-48-1

Created by admin on Wed Apr 02 21:05:58 GMT 2025 , Edited by admin on Wed Apr 02 21:05:58 GMT 2025

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PUBCHEM

58467988

Created by admin on Wed Apr 02 21:05:58 GMT 2025 , Edited by admin on Wed Apr 02 21:05:58 GMT 2025

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FDA UNII

UYX4M92ENR

Created by admin on Wed Apr 02 21:05:58 GMT 2025 , Edited by admin on Wed Apr 02 21:05:58 GMT 2025

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