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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21NO3
Molecular Weight 299.3642
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOCODEINE

SMILES

[H][C@@]12OC3=C4C(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@H]2O)=CC=C3OC

InChI

InChIKey=OROGSEYTTFOCAN-KEMUOJQUSA-N
InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13+,17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H21NO3
Molecular Weight 299.3642
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 17:34:08 GMT 2023
Edited
by admin
on Sat Dec 16 17:34:08 GMT 2023
Record UNII
XWN5Y2Y8ZQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOCODEINE
Common Name English
6-ISOCODEINE
Common Name English
.ALPHA.-ISOCODEINE
Common Name English
MORPHINAN-6.BETA.-OL, 7,8-DIDEHYDRO-4,5.ALPHA.-EPOXY-3-METHOXY-17-METHYL-
Systematic Name English
NSC-76434
Code English
(5.ALPHA.,6.BETA.)-7,8-DIDEHYDRO-4,5-EPOXY-3-METHOXY-17-METHYLMORPHINAN-6-OL
Systematic Name English
Code System Code Type Description
NSC
76434
Created by admin on Sat Dec 16 17:34:08 GMT 2023 , Edited by admin on Sat Dec 16 17:34:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID10858973
Created by admin on Sat Dec 16 17:34:08 GMT 2023 , Edited by admin on Sat Dec 16 17:34:08 GMT 2023
PRIMARY
CAS
509-64-8
Created by admin on Sat Dec 16 17:34:08 GMT 2023 , Edited by admin on Sat Dec 16 17:34:08 GMT 2023
PRIMARY
PUBCHEM
5324288
Created by admin on Sat Dec 16 17:34:08 GMT 2023 , Edited by admin on Sat Dec 16 17:34:08 GMT 2023
PRIMARY
FDA UNII
XWN5Y2Y8ZQ
Created by admin on Sat Dec 16 17:34:08 GMT 2023 , Edited by admin on Sat Dec 16 17:34:08 GMT 2023
PRIMARY
WIKIPEDIA
Isocodeine
Created by admin on Sat Dec 16 17:34:08 GMT 2023 , Edited by admin on Sat Dec 16 17:34:08 GMT 2023
PRIMARY