PROTHIPENDYL HYDROCHLORIDE MONOHYDRATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H19N3S.ClH.H2O
Molecular Weight	339.883
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PROTHIPENDYL HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.CN(C)CCCN1C2=C(SC3=C1N=CC=C3)C=CC=C2

InChI

InChIKey=YATJECIBCQMRMY-UHFFFAOYSA-N

InChI=1S/C16H19N3S.ClH.H2O/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19;;/h3-5,7-10H,6,11-12H2,1-2H3;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	C16H19N3S
Molecular Weight	285.407
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 06:42:34 UTC 2023` Edited by `admin` on `Sat Dec 16 06:42:34 UTC 2023`
Record UNII	9G1ILH80SA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PROTHIPENDYL HYDROCHLORIDE MONOHYDRATE

Common Name

English

PROTHIPENDYL HYDROCHLORIDE [MART.]

Common Name

English

10H-PYRIDO(3,2-B)(1,4)BENZOTHIAZINE-10-PROPANAMINE, N,N-DIMETHYL-, HYDROCHLORIDE, HYDRATE (1:1:1)

Systematic Name

English

Code System Code Type Description

SMS_ID

100000174884

Created by admin on Sat Dec 16 06:42:34 UTC 2023 , Edited by admin on Sat Dec 16 06:42:34 UTC 2023

PRIMARY

CAS

70145-94-7

Created by admin on Sat Dec 16 06:42:34 UTC 2023 , Edited by admin on Sat Dec 16 06:42:34 UTC 2023

PRIMARY

EPA CompTox

DTXSID80220426

Created by admin on Sat Dec 16 06:42:34 UTC 2023 , Edited by admin on Sat Dec 16 06:42:34 UTC 2023

PRIMARY

FDA UNII

9G1ILH80SA

Created by admin on Sat Dec 16 06:42:34 UTC 2023 , Edited by admin on Sat Dec 16 06:42:34 UTC 2023

PRIMARY

PUBCHEM

24844799

Created by admin on Sat Dec 16 06:42:34 UTC 2023 , Edited by admin on Sat Dec 16 06:42:34 UTC 2023

PRIMARY

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PROTHIPENDYL HYDROCHLORIDE

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ACTIVE MOIETY