CEPHAELINE DIHYDROBROMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38N2O4.2BrH
Molecular Weight	628.436
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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=LBEHXAAQCILFGO-JBKGYMEJSA-N

InChI=1S/C28H38N2O4.2BrH/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/t17-,20-,23+,24-;;/m0../s1

HIDE SMILES / InChI

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

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

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
Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.	1991 Jan-Feb	1710653
Studies for the emetic mechanisms of ipecac syrup (TJN-119) and its active components in ferrets: involvement of 5-hydroxytryptamine receptors.	2002 Jun	12120752
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
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 05:52:49 GMT 2023` Edited by `admin` on `Sat Dec 16 05:52:49 GMT 2023`
Record UNII	TJZ43HC22F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEPHAELINE DIHYDROBROMIDE

Common Name

English

CEPHAELINE HYDROBROMIDE

Common Name

English

6-ISOQUINOLINOL, 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-, HYDROBROMIDE (1:2), (1R)-

Common Name

English

DESMETHYLEMETINE DIHYDROBROMIDE

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

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70208879

Created by admin on Sat Dec 16 05:52:49 GMT 2023 , Edited by admin on Sat Dec 16 05:52:49 GMT 2023

PRIMARY

FDA UNII

TJZ43HC22F

Created by admin on Sat Dec 16 05:52:49 GMT 2023 , Edited by admin on Sat Dec 16 05:52:49 GMT 2023

PRIMARY

PUBCHEM

71586842

Created by admin on Sat Dec 16 05:52:49 GMT 2023 , Edited by admin on Sat Dec 16 05:52:49 GMT 2023

PRIMARY

CAS

6014-81-9

Created by admin on Sat Dec 16 05:52:49 GMT 2023 , Edited by admin on Sat Dec 16 05:52:49 GMT 2023

PRIMARY

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