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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23NO3
Molecular Weight 313.3908
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROTHEBAINE

SMILES

[H][C@]12CC=C(OC)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4OC

InChI

InChIKey=XJZOLKDBHJPTAT-ATNYCFDYSA-N
InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4,6-7,12-13,18H,5,8-10H2,1-3H3/t12-,13+,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H23NO3
Molecular Weight 313.3908
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:19:52 GMT 2023
Edited
by admin
on Sat Dec 16 08:19:52 GMT 2023
Record UNII
3F3XDX43PO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHYDROTHEBAINE
MI  
Common Name English
.DELTA.6-DIHYDROTHEBAINE
Common Name English
DIHYDROTHEBAINE [MI]
Common Name English
THEBAINE, 8,14-DIHYDRO-
Common Name English
MORPHINAN, 6,7-DIDEHYDRO-4,5.ALPHA.-EPOXY-3,6-DIMETHOXY-17-METHYL-
Systematic Name English
MORPHINAN, 6,7-DIDEHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYL-, (5.ALPHA.)-
Systematic Name English
HYDROCODONE HYDROGEN TARTRATE 2.5-HYDRATE IMPURITY J [EP IMPURITY]
Common Name English
8,14-DIHYDROTHEBAINE
Common Name English
Code System Code Type Description
FDA UNII
3F3XDX43PO
Created by admin on Sat Dec 16 08:19:52 GMT 2023 , Edited by admin on Sat Dec 16 08:19:52 GMT 2023
PRIMARY
MERCK INDEX
m4469
Created by admin on Sat Dec 16 08:19:52 GMT 2023 , Edited by admin on Sat Dec 16 08:19:52 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
209-216-1
Created by admin on Sat Dec 16 08:19:52 GMT 2023 , Edited by admin on Sat Dec 16 08:19:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID40204641
Created by admin on Sat Dec 16 08:19:52 GMT 2023 , Edited by admin on Sat Dec 16 08:19:52 GMT 2023
PRIMARY
PUBCHEM
5486617
Created by admin on Sat Dec 16 08:19:52 GMT 2023 , Edited by admin on Sat Dec 16 08:19:52 GMT 2023
PRIMARY
CAS
561-25-1
Created by admin on Sat Dec 16 08:19:52 GMT 2023 , Edited by admin on Sat Dec 16 08:19:52 GMT 2023
PRIMARY