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Details

Stereochemistry ACHIRAL
Molecular Formula C22H19ClO3
Molecular Weight 366.837
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-NAPHTHALENEDIONE, 2-(CIS-4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-HYDROXY-

SMILES

OC1=C([C@@H]2CC[C@@H](CC2)C3=CC=C(Cl)C=C3)C(=O)C4=C(C=CC=C4)C1=O

InChI

InChIKey=KUCQYCKVKVOKAY-OTVXOJSOSA-N
InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15+

HIDE SMILES / InChI

Molecular Formula C22H19ClO3
Molecular Weight 366.837
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 Thu Jul 06 21:07:30 UTC 2023
Edited
by admin
on Thu Jul 06 21:07:30 UTC 2023
Record UNII
F1W7QUV0KI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-NAPHTHALENEDIONE, 2-(CIS-4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-HYDROXY-
Systematic Name English
2-(CIS-4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-HYDROXY-1,4-NAPHTHALENEDIONE
Systematic Name English
CIS-2-(4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-HYDROXY-1,4-NAPHTHOQUINONE
Systematic Name English
ATOVAQUONE RELATED COMPOUND A [USP IMPURITY]
Common Name English
ATOVAQUONE RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1044662
Created by admin on Thu Jul 06 21:07:30 UTC 2023 , Edited by admin on Thu Jul 06 21:07:30 UTC 2023
PRIMARY
FDA UNII
F1W7QUV0KI
Created by admin on Thu Jul 06 21:07:30 UTC 2023 , Edited by admin on Thu Jul 06 21:07:30 UTC 2023
PRIMARY
CAS
137732-39-9
Created by admin on Thu Jul 06 21:07:30 UTC 2023 , Edited by admin on Thu Jul 06 21:07:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP