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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21NO6
Molecular Weight 383.3945
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RHOEADINE

SMILES

[H][C@]12O[C@H](OC)C3=C(C=CC4=C3OCO4)[C@@]1([H])N(C)CCC5=C2C=C6OCOC6=C5

InChI

InChIKey=XRBIHOLQAKITPP-SBHAEUEKSA-N
InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H21NO6
Molecular Weight 383.3945
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:51:46 GMT 2023
Edited
by admin
on Sat Dec 16 08:51:46 GMT 2023
Record UNII
9Q9C65WH3B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RHOEADINE
Common Name English
(1,3)DIOXOLO(4,5-H)-1,3-DIOXOLO(7,8)(2)BENZOPYRANO(3,4-A)(3)BENZAZEPINE, 5B,6,7,8,13B,15-HEXAHYDRO-15-METHOXY-6-METHYL-, (5BR,13BR,15S)-
Systematic Name English
RHOEADIN
Common Name English
RHEADINE [MI]
Common Name English
Code System Code Type Description
FDA UNII
9Q9C65WH3B
Created by admin on Sat Dec 16 08:51:46 GMT 2023 , Edited by admin on Sat Dec 16 08:51:46 GMT 2023
PRIMARY
CAS
2718-25-4
Created by admin on Sat Dec 16 08:51:46 GMT 2023 , Edited by admin on Sat Dec 16 08:51:46 GMT 2023
PRIMARY
WIKIPEDIA
Rhoeadine
Created by admin on Sat Dec 16 08:51:46 GMT 2023 , Edited by admin on Sat Dec 16 08:51:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID10181652
Created by admin on Sat Dec 16 08:51:46 GMT 2023 , Edited by admin on Sat Dec 16 08:51:46 GMT 2023
PRIMARY
PUBCHEM
197775
Created by admin on Sat Dec 16 08:51:46 GMT 2023 , Edited by admin on Sat Dec 16 08:51:46 GMT 2023
PRIMARY
MERCK INDEX
m9568
Created by admin on Sat Dec 16 08:51:46 GMT 2023 , Edited by admin on Sat Dec 16 08:51:46 GMT 2023
PRIMARY Merck Index