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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22O5
Molecular Weight 354.3964
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-METHOXYGLABRADIN

SMILES

COC1=C(O)C=CC([C@@H]2COC3=C(C2)C=CC4=C3C=CC(C)(C)O4)=C1O

InChI

InChIKey=SBQBKTSYEKPBJF-ZDUSSCGKSA-N
InChI=1S/C21H22O5/c1-21(2)9-8-15-17(26-21)7-4-12-10-13(11-25-19(12)15)14-5-6-16(22)20(24-3)18(14)23/h4-9,13,22-23H,10-11H2,1-3H3/t13-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3'-METHOXYGLABRADIN
Common Name English
1,3-BENZENEDIOL, 4-((3R)-3,4-DIHYDRO-8,8-DIMETHYL-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-3-YL)-2-METHOXY-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID301115970
Created by admin on Sat Dec 16 08:46:09 GMT 2023 , Edited by admin on Sat Dec 16 08:46:09 GMT 2023
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CAS
74046-05-2
Created by admin on Sat Dec 16 08:46:09 GMT 2023 , Edited by admin on Sat Dec 16 08:46:09 GMT 2023
PRIMARY
PUBCHEM
15228663
Created by admin on Sat Dec 16 08:46:09 GMT 2023 , Edited by admin on Sat Dec 16 08:46:09 GMT 2023
PRIMARY
FDA UNII
39OP7EL0PK
Created by admin on Sat Dec 16 08:46:09 GMT 2023 , Edited by admin on Sat Dec 16 08:46:09 GMT 2023
PRIMARY