ACETAGASTRODINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26O11
Molecular Weight	454.4245
Optical Activity	( - )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)OC[C@H]1O[C@@H](OC2=CC=C(CO)C=C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

InChI

InChIKey=HGUDVDQXCUHOED-YMQHIKHWSA-N

InChI=1S/C21H26O11/c1-11(23)27-10-17-18(28-12(2)24)19(29-13(3)25)20(30-14(4)26)21(32-17)31-16-7-5-15(9-22)6-8-16/h5-8,17-22H,9-10H2,1-4H3/t17-,18-,19+,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H26O11
Molecular Weight	454.4245
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:11:29 GMT 2025` Edited by `admin` on `Wed Apr 02 07:11:29 GMT 2025`
Record UNII	B8N8L7P6PQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETAGASTRODIN

Preferred Name

English

ACETAGASTRODINE

Common Name

English

Acetagastrodine [WHO-DD]

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, 4-(HYDROXYMETHYL)PHENYL, 2,3,4,6-TETRAACETATE

Systematic Name

English

Code System Code Type Description

SMS_ID

300000045916