O-METHYL ATOVAQUONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H21ClO3
Molecular Weight	380.864
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C([C@H]2CC[C@@H](CC2)C3=CC=C(Cl)C=C3)C(=O)C4=C(C=CC=C4)C1=O

InChI

InChIKey=LHZIOFDLSVYSFT-KOMQPUFPSA-N

InChI=1S/C23H21ClO3/c1-27-23-20(21(25)18-4-2-3-5-19(18)22(23)26)16-8-6-14(7-9-16)15-10-12-17(24)13-11-15/h2-5,10-14,16H,6-9H2,1H3/t14-,16-

HIDE SMILES / InChI

Molecular Formula	C23H21ClO3
Molecular Weight	380.864
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 15:38:13 UTC 2023` Edited by `admin` on `Sat Dec 16 15:38:13 UTC 2023`
Record UNII	CJ80ZA89HA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-METHYL ATOVAQUONE

Common Name

English

2-(TRANS-4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-METHOXY-1,4-NAPHTHALENEDIONE

Systematic Name

English

O-METHYL ATOVAQUONE [USP IMPURITY]

Common Name

English

TRANS-2-(4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-METHOXY-1,4-NAPHTHOQUINONE

Systematic Name

English

1,4-NAPHTHALENEDIONE, 2-(4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-METHOXY-, TRANS-

Systematic Name

English

Code System Code Type Description

FDA UNII

CJ80ZA89HA

Created by admin on Sat Dec 16 15:38:13 UTC 2023 , Edited by admin on Sat Dec 16 15:38:13 UTC 2023

PRIMARY

CAS

129700-41-0

Created by admin on Sat Dec 16 15:38:13 UTC 2023 , Edited by admin on Sat Dec 16 15:38:13 UTC 2023

PRIMARY

Related Record Type Details


					Y883P1Z2LT

ATOVAQUONE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: