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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H19NO4
Molecular Weight 325.3585
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOMESTICINE

SMILES

[H][C@@]12CC3=C(C=C4OCOC4=C3)C5=C(O)C(OC)=CC(CCN1C)=C25

InChI

InChIKey=ZMNSHBTYBQNBPV-ZDUSSCGKSA-N
InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H19NO4
Molecular Weight 325.3585
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:34:49 GMT 2023
Edited
by admin
on Sat Dec 16 18:34:49 GMT 2023
Record UNII
96P7649HX8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOMESTICINE
MI  
Common Name English
DOMESTICINE [MI]
Common Name English
4H-BENZO(DE)(1,3)BENZODIOXOLO(5,6-G)QUINOLIN-1-OL, 5,6,6A,7-TETRAHYDRO-2-METHOXY-6-METHYL-, (6AS)-
Systematic Name English
1-HYDROXY-2-METHOXY-9,10-METHYLENEDIOXYAPORPHINE
Systematic Name English
D-DOMESTICINE
Common Name English
(+)-DOMESTICINE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50197217
Created by admin on Sat Dec 16 18:34:49 GMT 2023 , Edited by admin on Sat Dec 16 18:34:49 GMT 2023
PRIMARY
FDA UNII
96P7649HX8
Created by admin on Sat Dec 16 18:34:49 GMT 2023 , Edited by admin on Sat Dec 16 18:34:49 GMT 2023
PRIMARY
MERCK INDEX
m4732
Created by admin on Sat Dec 16 18:34:49 GMT 2023 , Edited by admin on Sat Dec 16 18:34:49 GMT 2023
PRIMARY Merck Index
CAS
476-71-1
Created by admin on Sat Dec 16 18:34:49 GMT 2023 , Edited by admin on Sat Dec 16 18:34:49 GMT 2023
PRIMARY
PUBCHEM
164611
Created by admin on Sat Dec 16 18:34:49 GMT 2023 , Edited by admin on Sat Dec 16 18:34:49 GMT 2023
PRIMARY