U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H43NO17
Molecular Weight 641.6161
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1R,4R,5S,6R)-4,5,6-TRIHYDROXY-2-(HYDROXYMETHYL)CYCLOHEX-2-ENYL 4-O-(4,6-DIDEOXY-4-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-ENYL)AMINO)-.ALPHA.-D-GLUCOPYRANOSYL)-.ALPHA.-D-GLUCOPYRANOSIDE

SMILES

C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)C=C3CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]4C=C(CO)[C@@H](O)[C@H](O)[C@H]4O

InChI

InChIKey=HCIFJKWFKHPOMC-IILQJVAWSA-N
InChI=1S/C26H43NO17/c1-7-13(27-10-2-8(4-28)14(32)18(36)15(10)33)17(35)21(39)25(41-7)44-24-12(6-30)42-26(22(40)20(24)38)43-23-9(5-29)3-11(31)16(34)19(23)37/h2-3,7,10-40H,4-6H2,1H3/t7-,10+,11-,12-,13-,14-,15+,16+,17+,18+,19-,20-,21-,22-,23-,24-,25-,26-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(1R,4R,5S,6R)-4,5,6-TRIHYDROXY-2-(HYDROXYMETHYL)CYCLOHEX-2-ENYL 4-O-(4,6-DIDEOXY-4-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-ENYL)AMINO)-.ALPHA.-D-GLUCOPYRANOSYL)-.ALPHA.-D-GLUCOPYRANOSIDE
Systematic Name English
ACARBOSE IMPURITY B [EP IMPURITY]
Common Name English
ACARBOSE IMPURITY B [USP IMPURITY]
Common Name English
ACARBOSE IMPURITY B
Common Name English
Code System Code Type Description
PUBCHEM
154925673
Created by admin on Sat Dec 16 14:31:12 GMT 2023 , Edited by admin on Sat Dec 16 14:31:12 GMT 2023
PRIMARY
FDA UNII
N5Z9NCF3ZG
Created by admin on Sat Dec 16 14:31:12 GMT 2023 , Edited by admin on Sat Dec 16 14:31:12 GMT 2023
PRIMARY