SINALBIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H24NO5.C14H18NO10S2
Molecular Weight	734.789
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(\C=C\C(=O)OCC[N+](C)(C)C)=CC(OC)=C1O.OC[C@H]2O[C@@H](SC(CC3=CC=C(O)C=C3)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]2O

InChI

InChIKey=NUXXPTJGCLKPIG-VDHCZMMKSA-N

InChI=1S/C16H23NO5.C14H19NO10S2/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5;16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h6-7,10-11H,8-9H2,1-5H3;1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/t;9-,11-,12+,13-,14+/m.1/s1

HIDE SMILES / InChI

Molecular Formula	C16H23NO5
Molecular Weight	309.3575
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C14H19NO10S2
Molecular Weight	425.431
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:51:47 GMT 2023` Edited by `admin` on `Fri Dec 15 19:51:47 GMT 2023`
Record UNII	Z0BYE1900W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SINALBIN

Common Name

English

.BETA.-D-GLUCOPYRANOSE, 1-THIO-, 1-(4-HYDROXY-N-(SULFOOXY)BENZENEETHANIMIDATE), ION(1-), 2-((3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)OXY)-N,N,N-TRIMETHYLETHANAMINIUM

Common Name

English

GLUCOPYRANOSE, 1-THIO-, 1-(2-(P-HYDROXYPHENYL)ACETOHYDROXIMATE), NO-(HYDROGEN SULFATE) ION(1-), CHOLINE, MONO(4-HYDROXY-3,5-DIMETHOXYCINNAMATE) ESTER, .BETA.-D-

Common Name

English

CHOLINE, SALT WITH 1-THIO-.BETA.-D-GLUCOPYRANOSE 1-(2-(P-HYDROXYPHENYL)ACETOHYDROXIMATE) NO-(HYDROGEN SULFATE) (1:1), MONO(4-HYDROXY-3,5-DIMETHOXYCINNAMATE) (ESTER)

Common Name

English

ETHANAMINIUM, 2-((3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)OXY)-N,N,N-TRIMETHYL-, SALT WITH 1-THIO-.BETA.-D-GLUCOPYRANOSE 1-(4-HYDROXY-N-(SULFOOXY)BENZENEETHANIMIDATE) (1:1)

Common Name

English

SINALBIN [MI]

Common Name

English

SINALBINE

Common Name

English

SINAPINE GLUCOSINALBATE

Common Name

English

Code System Code Type Description

MERCK INDEX

m9948