DEHYDROEMETINE, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H38N2O4
Molecular Weight	478.623
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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 `Sat Dec 16 05:30:52 UTC 2023` Edited by `admin` on `Sat Dec 16 05:30:52 UTC 2023`
Record UNII	L36LY97UH4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEHYDROEMETINE, (±)-

Common Name

English

NSC-129414

Code

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)-REL-

Common Name

English

(±)-2,3-DEHYDROEMETINE

Common Name

English

Code System Code Type Description

CAS

1986-67-0