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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38N2O4.2BrH.7H2O
Molecular Weight 754.543
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEPHAELINE DIHYDROBROMIDE HEPTAHYDRATE

SMILES

O.O.O.O.O.O.O.Br.Br.[H][C@]4(C[C@H]1C[C@]2([H])N(CCC3=CC(OC)=C(OC)C=C23)C[C@@H]1CC)NCCC5=CC(O)=C(OC)C=C45

InChI

InChIKey=LIPXYIGUEVAKHO-PUJYRUHLSA-N
InChI=1S/C28H38N2O4.2BrH.7H2O/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;;;;;;;;;/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3;2*1H;7*1H2/t17-,20-,23+,24-;;;;;;;;;/m0........./s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C28H38N2O4
Molecular Weight 466.6123
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 05:55:17 UTC 2023
Edited
by admin
on Sat Dec 16 05:55:17 UTC 2023
Record UNII
9Z7S0Z316G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEPHAELINE DIHYDROBROMIDE HEPTAHYDRATE
MI  
Common Name English
(1R)-1-(((2S,3R,11BS)-3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-2-YL)METHYL)-1,2,3,4-TETRAHYDRO-7-METHOXY-6-ISOQUINOLINOL DIHYDROBROMIDE HEPTAHYDRATE
Common Name English
DESMETHYLEMETINE DIHYDROBROMIDE HEPTAHYDRATE
Common Name English
CEPHAELINE DIHYDROBROMIDE HEPTAHYDRATE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m3243
Created by admin on Sat Dec 16 05:55:17 UTC 2023 , Edited by admin on Sat Dec 16 05:55:17 UTC 2023
PRIMARY Merck Index
FDA UNII
9Z7S0Z316G
Created by admin on Sat Dec 16 05:55:17 UTC 2023 , Edited by admin on Sat Dec 16 05:55:17 UTC 2023
PRIMARY
PUBCHEM
76958552
Created by admin on Sat Dec 16 05:55:17 UTC 2023 , Edited by admin on Sat Dec 16 05:55:17 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY