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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H25NO3
Molecular Weight 339.4281
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Morphinan-3,14-diol, 17-(3-butenyl)-4,5-epoxy-6-methylene-, (5?)-

SMILES

OC1=C2O[C@H]3C(=C)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5CCC=C

InChI

InChIKey=RBIVPGSQKYUIET-MBPVOVBZSA-N
InChI=1S/C21H25NO3/c1-3-4-10-22-11-9-20-17-14-5-6-15(23)18(17)25-19(20)13(2)7-8-21(20,24)16(22)12-14/h3,5-6,16,19,23-24H,1-2,4,7-12H2/t16-,19+,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H25NO3
Molecular Weight 339.4281
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 Wed Apr 02 21:23:29 GMT 2025
Edited
by admin
on Wed Apr 02 21:23:29 GMT 2025
Record UNII
KNT5B2W6ZJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4R,4aS,7aS,12bS)-3-But-3-enyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Preferred Name English
Morphinan-3,14-diol, 17-(3-butenyl)-4,5-epoxy-6-methylene-, (5?)-
Systematic Name English
Code System Code Type Description
CAS
738552-29-9
Created by admin on Wed Apr 02 21:23:29 GMT 2025 , Edited by admin on Wed Apr 02 21:23:29 GMT 2025
PRIMARY
PUBCHEM
165429144
Created by admin on Wed Apr 02 21:23:29 GMT 2025 , Edited by admin on Wed Apr 02 21:23:29 GMT 2025
PRIMARY
FDA UNII
KNT5B2W6ZJ
Created by admin on Wed Apr 02 21:23:29 GMT 2025 , Edited by admin on Wed Apr 02 21:23:29 GMT 2025
PRIMARY