DETRALFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H22O25S5
Molecular Weight	726.613
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1O

InChI

InChIKey=MJBAKMXCLOFQBX-NCFXGAEVSA-N

InChI=1S/C12H22O25S5/c1-3-5(13)7(34-39(18,19)20)10(37-42(27,28)29)12(31-3)30-2-4-6(33-38(15,16)17)8(35-40(21,22)23)9(11(14)32-4)36-41(24,25)26/h3-14H,2H2,1H3,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C12H22O25S5
Molecular Weight	726.613
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: Collins, P.M. (2005) Dictionary of Carbohydrates, page 357, retrieved from: https://books.google.ru/books?id=jw3NBQAAQBAJ | Shepard, T.H., Lemire, R.J. (2004) Catalog of Teratogenic Agents, page 870, retrieved from: https://books.google.ru/books?id=vBIl2OA6BK8C

Detralfate is an antiulcerogenic agent. It was administrated to pregnant mice and rats during active organogenesis and no teratogenicity or postnatal effects were observed.

Approval Year

Sample Use Guides

In Vivo Use Guide

up to 4 g per day

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:42:28 GMT 2023` Edited by `admin` on `Fri Dec 15 19:42:28 GMT 2023`
Record UNII	YD5EC2W2Z5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DETRALFATE

Official Name

English

detralfate [INN]

Common Name

English

Code System Code Type Description

PUBCHEM

3084656