DEHYDROEMETINE HYDROCHLORIDE, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H38N2O4.ClH
Molecular Weight	515.084
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DEHYDROEMETINE HYDROCHLORIDE, (±)-

Structure Search

SMILES

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

InChI

InChIKey=DHRVPMDKONQKAP-KGQXAQPSSA-N

InChI=1S/C29H38N2O4.ClH/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;1H/t24-,25+;/m1./s1

HIDE SMILES / InChI

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	C29H38N2O4
Molecular Weight	478.623
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:05:29 UTC 2023` Edited by `admin` on `Sat Dec 16 17:05:29 UTC 2023`
Record UNII	4194D823Y6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEHYDROEMETINE HYDROCHLORIDE, (±)-

Common Name

English

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

Systematic Name

English

(±)-2,3-DIDEHYDROEMETINE HYDROCHLORIDE

Common Name

English

(±)-DEHYDROEMETINE HYDROCHLORIDE

Common Name

English

EMETAN, 2,3-DIDEHYDRO-6',7',10,11-TETRAMETHOXY-, MONOHYDROCHLORIDE, (±)-

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)-, HYDROCHLORIDE (1:1), (11BS)-REL-

Systematic Name

English

Code System Code Type Description

FDA UNII

4194D823Y6