Etrinabdione

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H35NO3
Molecular Weight	433.5824
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCC1=C(NCC2=CC=CC=C2)C(=O)C([C@@H]3C=C(C)CC[C@H]3C(C)=C)=C(O)C1=O

InChI

InChIKey=NTGIXJASMBWXRO-JTHBVZDNSA-N

InChI=1S/C28H35NO3/c1-5-6-8-13-22-25(29-17-20-11-9-7-10-12-20)27(31)24(28(32)26(22)30)23-16-19(4)14-15-21(23)18(2)3/h7,9-12,16,21,23,29,32H,2,5-6,8,13-15,17H2,1,3-4H3/t21-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H35NO3
Molecular Weight	433.5824
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 13:48:18 UTC 2023` Edited by `admin` on `Sat Dec 16 13:48:18 UTC 2023`
Record UNII	KTJCIKNF3F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Etrinabdione

Official Name

English

(1'R,6'R)-3-(BENZYLAMINE)-6-HYDROXY-3'-METHYL-4-PENTYL-6'-(PROP-1-EN-2-YL)-(1,1'-BI(CYCLOHEXANE))-2',3,6-TRIENE-2,5-DIONE

Systematic Name

English

(1'R,6'R)-3-(benzylamino)-6-hydroxy-3'-methyl-4-pentyl-6'-(prop-1-en-2-yl)[1,1'-bi(cyclohexane)]-1(6),2',3-triene-2,5-dione

Systematic Name

English

2,5-CYCLOHEXADIENE-1,4-DIONE, 2-HYDROXY-3-((1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-6-PENTYL-5-((PHENYLMETHYL)AMINO)-

Systematic Name

English

(1'R,6'R)-3-(BENZYLAMINO)-6-HYDROXY-3'-METHYL-4-PENTYL-6'-(PROP-1-EN-2-YL)-(1,1'-BI(CYCLOHEXANE))-2',3,6-TRIENE-2,5-DIONE

Systematic Name

English

EHP101

Code

English

EHP-101

Code

English

etrinabdione [INN]

Common Name

English

2-Hydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentyl-5-[(phenylmethyl)amino]-2,5-cyclohexadiene-1,4-dione

Systematic Name

English

VCE-004

Code

English

VCE-004.8

Code

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/17/1933