DES-O-METHYL-O-SULFATE-RANOLAZINE

Details

Stereochemistry	RACEMIC
Molecular Formula	C23H31N3O7S
Molecular Weight	493.573
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DES-O-METHYL-O-SULFATE-RANOLAZINE

Structure Search

SMILES

CC1=CC=CC(C)=C1NC(=O)CN2CCN(CC(O)COC3=C(OS(O)(=O)=O)C=CC=C3)CC2

InChI

InChIKey=NVBJMZRBIXGUAX-UHFFFAOYSA-N

InChI=1S/C23H31N3O7S/c1-17-6-5-7-18(2)23(17)24-22(28)15-26-12-10-25(11-13-26)14-19(27)16-32-20-8-3-4-9-21(20)33-34(29,30)31/h3-9,19,27H,10-16H2,1-2H3,(H,24,28)(H,29,30,31)

HIDE SMILES / InChI

Molecular Formula	C23H31N3O7S
Molecular Weight	493.573
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:15:17 UTC 2023` Edited by `admin` on `Sat Dec 16 15:15:17 UTC 2023`
Record UNII	UWX2BK4PFS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DES-O-METHYL-O-SULFATE-RANOLAZINE

Common Name

English

RANOLAZINE, O-METHYL-O-SULFATE METABOLITE

Common Name

English

2-(3-(4-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)PIPERAZIN-1-YL)-2-HYDROXYPROPOXY)PHENYL HYDROGEN SULFATE

Systematic Name

English

(2-(3-(4-(2-(2,6-DIMETHYLANILINO)-2-OXO-ETHYL)PIPERAZIN-1-YL)-2-HYDROXY-PROPOXY)PHENYL) HYDROGEN SULFATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

165412014

Created by admin on Sat Dec 16 15:15:17 UTC 2023 , Edited by admin on Sat Dec 16 15:15:17 UTC 2023

PRIMARY

FDA UNII

UWX2BK4PFS

Created by admin on Sat Dec 16 15:15:17 UTC 2023 , Edited by admin on Sat Dec 16 15:15:17 UTC 2023

PRIMARY

Related Record Type Details


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RANOLAZINE

PARENT -> METABOLITE