CEPHAELINE DIHYDROBROMIDE HEPTAHYDRATE

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

Structure Search

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

Targets

Primary Target	Pharmacology	Condition	Potency
Serotonin 4 (5-HT4) receptor 39 Target ID: CHEMBL1875 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11913711	Binding Agent 1064

PubMed

Title	Date	PubMed
Biotransformation of the ipecac alkaloids cephaeline and emetine from ipecac syrup in rats.	2002 Jan-Mar	11996324
Urinary excretion of ipecac alkaloids in human volunteers.	2002 Oct	12361104
The new beta-D-glucosidase in terpenoid-isoquinoline alkaloid biosynthesis in Psychotria ipecacuanha.	2008 Dec 12	18927081
Clonal diversity and conservation genetics of the medicinal plant Carapichea ipecacuanha (Rubiaceae).	2010 Jan	21637610

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:55:17 GMT 2023` Edited by `admin` on `Sat Dec 16 05:55:17 GMT 2023`
Record UNII	9Z7S0Z316G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEPHAELINE DIHYDROBROMIDE HEPTAHYDRATE

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 GMT 2023 , Edited by admin on Sat Dec 16 05:55:17 GMT 2023

PRIMARY

Merck Index

FDA UNII

9Z7S0Z316G

Created by admin on Sat Dec 16 05:55:17 GMT 2023 , Edited by admin on Sat Dec 16 05:55:17 GMT 2023

PRIMARY

PUBCHEM

76958552

Created by admin on Sat Dec 16 05:55:17 GMT 2023 , Edited by admin on Sat Dec 16 05:55:17 GMT 2023

PRIMARY

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