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
Antiparasitic alkaloids from Psychotria klugii.	2003 Jul	12880315
Biochemistry and occurrence of o-demethylation in plant metabolism.	2010	21423357
Molecular phylogeography of Carapichea ipecacuanha, an amphitropical shrub that occurs in the understory of both semideciduous and evergreen forests.	2010 Apr	20298468
Clonal diversity and conservation genetics of the medicinal plant Carapichea ipecacuanha (Rubiaceae).	2010 Jan	21637610
Cell-based and cytokine-directed chemical screen to identify potential anti-multiple myeloma agents.	2010 Jul	20116850

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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