SAR-407899 HYDROCHLORIDE DIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H16N2O2.ClH.2H2O
Molecular Weight	316.781
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SAR-407899 HYDROCHLORIDE DIHYDRATE

Structure Search

SMILES

O.O.Cl.O=C1NC=CC2=C1C=CC(OC3CCNCC3)=C2

InChI

InChIKey=NOAORRYIRXPUJV-UHFFFAOYSA-N

InChI=1S/C14H16N2O2.ClH.2H2O/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11;;;/h1-3,8-9,11,15H,4-7H2,(H,16,17);1H;2*1H2

HIDE SMILES / InChI

Molecular Formula	C14H16N2O2
Molecular Weight	244.289
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

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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:44:48 UTC 2023` Edited by `admin` on `Sat Dec 16 10:44:48 UTC 2023`
Record UNII	14I47Q05LE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAR-407899 HYDROCHLORIDE DIHYDRATE

Code

English

1(2H)-ISOQUINOLINONE, 6-(4-PIPERIDINYLOXY)-, HYDROCHLORIDE, HYDRATE (1:1:2)

Systematic Name

English

Code System Code Type Description

CAS

1417611-24-5

Created by admin on Sat Dec 16 10:44:48 UTC 2023 , Edited by admin on Sat Dec 16 10:44:48 UTC 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

14I47Q05LE

Created by admin on Sat Dec 16 10:44:48 UTC 2023 , Edited by admin on Sat Dec 16 10:44:48 UTC 2023

PRIMARY

PUBCHEM

86675574

Created by admin on Sat Dec 16 10:44:48 UTC 2023 , Edited by admin on Sat Dec 16 10:44:48 UTC 2023

PRIMARY

CAS

1417424-23-7

Created by admin on Sat Dec 16 10:44:48 UTC 2023 , Edited by admin on Sat Dec 16 10:44:48 UTC 2023

PRIMARY

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SAR-407899 HYDROCHLORIDE

ANHYDROUS->SOLVATE

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ACTIVE MOIETY

Amount: