((5S,6S,9R)-5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-9-YL) 4-HYDROXYPIPERIDINE-1-CARBOXYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H25F2N3O3
Molecular Weight	417.449
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ((5S,6S,9R)-5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-9-YL) 4-HYDROXYPIPERIDINE-1-CARBOXYLATE

Structure Search

SMILES

N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(O)CC2)C3=C1C=CC=N3)C4=CC=CC(F)=C4F

InChI

InChIKey=NOEXAWSUIKJEPC-CVAIRZPRSA-N

InChI=1S/C22H25F2N3O3/c23-17-5-1-3-14(19(17)24)15-6-7-18(21-16(20(15)25)4-2-10-26-21)30-22(29)27-11-8-13(28)9-12-27/h1-5,10,13,15,18,20,28H,6-9,11-12,25H2/t15-,18+,20-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

((5S,6S,9R)-5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-9-YL) 4-HYDROXYPIPERIDINE-1-CARBOXYLATE

Systematic Name

English

RIMEGEPANT METABOLITE M21

Common Name

English

Code System Code Type Description

FDA UNII

4H0LT3EI31

Created by admin on Sat Dec 16 16:05:34 GMT 2023 , Edited by admin on Sat Dec 16 16:05:34 GMT 2023

PRIMARY

PUBCHEM

154584862

Created by admin on Sat Dec 16 16:05:34 GMT 2023 , Edited by admin on Sat Dec 16 16:05:34 GMT 2023

PRIMARY

PARENT (METABOLITE)


					997WVV895X

RIMEGEPANT

SUBSTANCE RECORD


					4H0LT3EI31

((5S,6S,9R)-5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-9-YL) 4-HYDROXYPIPERIDINE-1-CARBOXYLATE