SIMUFILAM HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H21N3O.2ClH.H2O
Molecular Weight	350.284
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.Cl.Cl.CN1CCC2(CC1)NCC(=O)N2CC3=CC=CC=C3

InChI

InChIKey=DVQGFCMKIGJTMJ-UHFFFAOYSA-N

InChI=1S/C15H21N3O.2ClH.H2O/c1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13;;;/h2-6,16H,7-12H2,1H3;2*1H;1H2

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C15H21N3O
Molecular Weight	259.3467
Charge	0
Count

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

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 13:55:49 GMT 2023` Edited by `admin` on `Sat Dec 16 13:55:49 GMT 2023`
Record UNII	CJ368X8WT6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SIMUFILAM HYDROCHLORIDE

Official Name

English

PTI-125 DIHYDROCHLORIDE MONOHYDRATE

Code

English

1,4,8-TRIAZASPIRO(4.5)DECAN-2-ONE, 8-METHYL-1-(PHENYLMETHYL)-, HYDROCHLORIDE, HYDRATE (1:2:1)

Systematic Name

English

PTI-910 DIHYDROCHLORIDE MONOHYDRATE

Code

English

SIMUFILAM HYDROCHLORIDE [USAN]

Common Name

English

SIMUFILAM DIHYDROCHLORIDE MONOHYDRATE

Common Name

English

FILORA

Brand Name

English

1-BENZYL-8-METHYL-1,4,8-TRIAZASPIRO(4.5)DECAN-2-ONE, HYDROCHLORIDE, HYDRATE (1: 2: 1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

155603443