RS-100975 MONOHYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H24F4N4O3.ClH.H2O
Molecular Weight	498.899
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RS-100975 MONOHYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.CC1=CNC(=O)N(CCCN2CCN(CC2)C3=C(OCC(F)(F)F)C=C(F)C=C3)C1=O

InChI

InChIKey=YABNLHVFWBCONL-UHFFFAOYSA-N

InChI=1S/C20H24F4N4O3.ClH.H2O/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24;;/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30);1H;1H2

HIDE SMILES / InChI

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

Molecular Formula	C20H24F4N4O3
Molecular Weight	444.4232
Charge	0
Count

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

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

Approval Year

PubMed

Title	Date	PubMed
In vitro alpha1-adrenoceptor pharmacology of Ro 70-0004 and RS-100329, novel alpha1A-adrenoceptor selective antagonists.	1999 May	10369480

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:59:35 GMT 2023` Edited by `admin` on `Fri Dec 15 15:59:35 GMT 2023`
Record UNII	3DNK32PW1E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RS-100975 MONOHYDROCHLORIDE MONOHYDRATE

Code

English

3-(3-(4-(4-FLUORO-2-(2,2,2-TRIFLUORO-ETHOXY)-PHENYL)-PIPERAZIN-1-YL)-PROPYL)-5-METHYL-1H-PYRIMIDINE-2,4-DIONE HYDROCHLORIDE HYDRATE

Systematic Name

English

2,4(1H,3H)-PYRIMIDINEDIONE, 3-(3-(4-(4-FLUORO-2-(2,2,2-TRIFLUOROETHOXY)PHENYL)-1-PIPERAZINYL)PROPYL)-5-METHYL-, HYDROCHLORIDE, HYDRATE (1:1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

133082470

Created by admin on Fri Dec 15 15:59:35 GMT 2023 , Edited by admin on Fri Dec 15 15:59:35 GMT 2023

PRIMARY

FDA UNII

3DNK32PW1E

Created by admin on Fri Dec 15 15:59:35 GMT 2023 , Edited by admin on Fri Dec 15 15:59:35 GMT 2023

PRIMARY

CAS

190130-72-4

Created by admin on Fri Dec 15 15:59:35 GMT 2023 , Edited by admin on Fri Dec 15 15:59:35 GMT 2023

PRIMARY

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