DEHYDROEMETINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H38N2O4
Molecular Weight	478.623
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DEHYDROEMETINE

Structure Search

SMILES

[H][C@@]12CC(C[C@H]3NCCC4=CC(OC)=C(OC)C=C34)=C(CC)CN1CCC5=CC(OC)=C(OC)C=C25

InChI

InChIKey=XXLZPUYGHQWHRN-RPBOFIJWSA-N

InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,24-25,30H,6-12,17H2,1-5H3/t24-,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H38N2O4
Molecular Weight	478.623
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:16:23 UTC 2023` Edited by `admin` on `Fri Dec 15 16:16:23 UTC 2023`
Record UNII	7S79QT1T91
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DEHYDROEMETINE

Official Name

English

RO-1-9334/19

Code

English

(11BS)-3-ETHYL-1,6,7,11B-TETRAHYDRO-9,10-DIMETHOXY-2-(((1R)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-ISOQUINOLINYL)METHYL)-4H-BENZO(A)QUINOLIZINE

Common Name

English

RO 1-9334/19

Code

English

Dehydroemetine [WHO-DD]

Common Name

English

4H-BENZO(A)QUINOLIZINE, 3-ETHYL-1,6,7,11B-TETRAHYDRO-9,10-DIMETHOXY-2-(((1R)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-ISOQUINOLINYL)METHYL)-, (11BS)-

Common Name

English

NSC-131546

Code

English

RO-1933419

Code

English

dehydroemetine [INN]

Common Name

English

DEHYDROEMETINE [MI]

Common Name

English

(-)-2,3-DEHYDROEMETINE

Common Name

English

3-ETHYL-9,10-DIMETHOXY-1,6,7,11B-TETRAHYDRO-2-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-ISOQUINOLYL)METHYL)-4H-BENZO(A)QUINOLIZINE

Common Name

English

Classification Tree Code System Code

WHO-ATC

P01AX09

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

Code System Code Type Description

FDA UNII

7S79QT1T91

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

PRIMARY

DRUG CENTRAL

3129

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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CAS

4914-30-1

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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PUBCHEM

21022

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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INN

1796

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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NSC

131546

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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RXCUI

3142

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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RxNorm

WIKIPEDIA

DEHYDROEMETINE

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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MESH

C086742

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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EPA CompTox

DTXSID901023600

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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ChEMBL

CHEMBL1697741

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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DRUG BANK

DB13865

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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SMS_ID

100000083497

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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NCI_THESAURUS

C418

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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MERCK INDEX

m4144

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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Merck Index

ECHA (EC/EINECS)

225-542-7

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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CHEBI

149634

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

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EVMPD

SUB06946MIG

Created by admin on Fri Dec 15 16:16:23 UTC 2023 , Edited by admin on Fri Dec 15 16:16:23 UTC 2023

PRIMARY

Related Record Type Details


					L36LY97UH4

DEHYDROEMETINE, (±)-

RACEMATE -> ENANTIOMER

Amount:


					6Y45FL9GWY

DEHYDROEMETINE DIHYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					7S79QT1T91

ACTIVE MOIETY