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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38N2O4.2ClH.7H2O
Molecular Weight 665.641
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEPHAELINE DIHYDROCHLORIDE HEPTAHYDRATE

SMILES

O.O.O.O.O.O.O.Cl.Cl.[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=DFAXGZYTCIFHEW-PUJYRUHLSA-N
InChI=1S/C28H38N2O4.2ClH.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 ClH
Molecular Weight 36.461
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

Targets

Targets

Primary TargetPharmacologyConditionPotency
PubMed

PubMed

TitleDatePubMed
Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.
1991 Jan-Feb
HIV-1 and HIV-2 reverse transcriptases: a comparative study of sensitivity to inhibition by selected natural products.
1992 May 29
Absorption, distribution and excretion of 3H-labeled cephaeline- and emetine-spiked ipecac syrup in rats.
2002 Jan-Mar
Urinary excretion of ipecac alkaloids in human volunteers.
2002 Oct
Antiparasitic alkaloids from Psychotria klugii.
2003 Jul
The new beta-D-glucosidase in terpenoid-isoquinoline alkaloid biosynthesis in Psychotria ipecacuanha.
2008 Dec 12
Cell-based and cytokine-directed chemical screen to identify potential anti-multiple myeloma agents.
2010 Jul
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:53:13 GMT 2023
Edited
by admin
on Fri Dec 15 15:53:13 GMT 2023
Record UNII
H5P411P33C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEPHAELINE DIHYDROCHLORIDE HEPTAHYDRATE
MI  
Common Name English
CEPHAELINE DIHYDROCHLORIDE 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 DIHYDROCHLORIDE HEPTAHYDRATE
Common Name English
DESMETHYLEMETINE DIHYDROCHLORIDE HEPTAHYDRATE
Common Name English
Code System Code Type Description
PUBCHEM
6420016
Created by admin on Fri Dec 15 15:53:13 GMT 2023 , Edited by admin on Fri Dec 15 15:53:13 GMT 2023
PRIMARY
CAS
6487-30-5
Created by admin on Fri Dec 15 15:53:13 GMT 2023 , Edited by admin on Fri Dec 15 15:53:13 GMT 2023
PRIMARY
MERCK INDEX
m3243
Created by admin on Fri Dec 15 15:53:13 GMT 2023 , Edited by admin on Fri Dec 15 15:53:13 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID20215159
Created by admin on Fri Dec 15 15:53:13 GMT 2023 , Edited by admin on Fri Dec 15 15:53:13 GMT 2023
PRIMARY
FDA UNII
H5P411P33C
Created by admin on Fri Dec 15 15:53:13 GMT 2023 , Edited by admin on Fri Dec 15 15:53:13 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY