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

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 of ACETAGASTRODINE

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 Sat Dec 16 16:08:12 GMT 2023
Edited
by admin
on Sat Dec 16 16:08:12 GMT 2023
Record UNII
B8N8L7P6PQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETAGASTRODINE
Common Name English
ACETAGASTRODIN
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
Created by admin on Sat Dec 16 16:08:12 GMT 2023 , Edited by admin on Sat Dec 16 16:08:12 GMT 2023
PRIMARY
CAS
64291-41-4
Created by admin on Sat Dec 16 16:08:12 GMT 2023 , Edited by admin on Sat Dec 16 16:08:12 GMT 2023
PRIMARY
PUBCHEM
163043
Created by admin on Sat Dec 16 16:08:12 GMT 2023 , Edited by admin on Sat Dec 16 16:08:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID00214509
Created by admin on Sat Dec 16 16:08:12 GMT 2023 , Edited by admin on Sat Dec 16 16:08:12 GMT 2023
PRIMARY
FDA UNII
B8N8L7P6PQ
Created by admin on Sat Dec 16 16:08:12 GMT 2023 , Edited by admin on Sat Dec 16 16:08:12 GMT 2023
PRIMARY