LANEPITANT DIHYDROCHLORIDE TRIHYDRATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H45N5O3.2ClH.3H2O
Molecular Weight	686.71
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LANEPITANT DIHYDROCHLORIDE TRIHYDRATE

Structure Search

SMILES

O.O.O.Cl.Cl.COC1=C(CN(C[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)CN4CCC(CC4)N5CCCCC5)C(C)=O)C=CC=C1

InChI

InChIKey=MMXNJDDJYCKAES-BQPUMDETSA-N

InChI=1S/C33H45N5O3.2ClH.3H2O/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37;;;;;/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40);2*1H;3*1H2/t28-;;;;;/m1...../s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

LANEPITANT DIHYDROCHLORIDE TRIHYDRATE

Common Name

English

(1,4'-BIPIPERIDINE)-1'-ACETAMIDE, N-((1R)-2-(ACETYL((2-METHOXYPHENYL)METHYL)AMINO)-1-(1H-INDOL-3-YLMETHYL)ETHYL)-, DIHYDROCHLORIDE, TRIHYDRATE

Systematic Name

English

Code System Code Type Description

FDA UNII

2Q5BV72CQE

Created by admin on Fri Dec 15 15:57:16 UTC 2023 , Edited by admin on Fri Dec 15 15:57:16 UTC 2023

PRIMARY

PUBCHEM

9853000

Created by admin on Fri Dec 15 15:57:16 UTC 2023 , Edited by admin on Fri Dec 15 15:57:16 UTC 2023

PRIMARY

CAS

167678-33-3

Created by admin on Fri Dec 15 15:57:16 UTC 2023 , Edited by admin on Fri Dec 15 15:57:16 UTC 2023

PRIMARY

PARENT (SALT/SOLVATE)


					17G8FN2E1F

SUBSTANCE RECORD


					2Q5BV72CQE

LANEPITANT DIHYDROCHLORIDE TRIHYDRATE