ALMOREXANT HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H31F3N2O3.ClH
Molecular Weight	549.024
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CNC(=O)[C@H](N1CCC2=C(C=C(OC)C(OC)=C2)[C@@H]1CCC3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChIKey=BYGBTDRDPBJUBB-LHIMUUITSA-N

InChI=1S/C29H31F3N2O3.ClH/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32;/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35);1H/t24-,27+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C29H31F3N2O3
Molecular Weight	512.5632
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:12:12 UTC 2023` Edited by `admin` on `Sat Dec 16 10:12:12 UTC 2023`
Record UNII	O4Z94D9A99
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALMOREXANT HYDROCHLORIDE

Common Name

English

ACT-078573 HYDROCHLORIDE

Code

English

2(1H)-ISOQUINOLINEACETAMIDE, 3,4-DIHYDRO-6,7-DIMETHOXY-N-METHYL-.ALPHA.-PHENYL-1-(2-(4-(TRIFLUOROMETHYL)PHENYL)ETHYL)-, HYDROCHLORIDE (1:1), (.ALPHA.R,1S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

25227440

Created by admin on Sat Dec 16 10:12:12 UTC 2023 , Edited by admin on Sat Dec 16 10:12:12 UTC 2023

PRIMARY

FDA UNII

O4Z94D9A99

Created by admin on Sat Dec 16 10:12:12 UTC 2023 , Edited by admin on Sat Dec 16 10:12:12 UTC 2023

PRIMARY

CAS

913358-93-7

Created by admin on Sat Dec 16 10:12:12 UTC 2023 , Edited by admin on Sat Dec 16 10:12:12 UTC 2023

PRIMARY

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