CICLOXOLONE SODIUM

Details

Stereochemistry	MIXED
Molecular Formula	C38H54O7.3Na
Molecular Weight	691.8005
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 11
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]3(C)C2=CC(=O)[C@]4([H])[C@@]5(C)CC[C@H](OC(=O)C6CCCCC6C([O-])=O)C(C)(C)[C@]5([H])CC[C@@]34C)C([O-])=O

InChI

InChIKey=YWHBTCAXYRPEKD-IVZDVHJXSA-L

InChI=1S/C38H56O7.3Na/c1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6;;;/h20,22-23,25,27-29H,8-19,21H2,1-7H3,(H,40,41)(H,43,44);;;/q;3*+1/p-2/t22?,23?,25-,27-,28-,29+,34+,35-,36-,37+,38+;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C38H54O7
Molecular Weight	622.8312
Charge	-2
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	9 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:22:38 UTC 2023` Edited by `admin` on `Fri Dec 15 15:22:38 UTC 2023`
Record UNII	3W80D7J7L2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CICLOXOLONE SODIUM

Common Name

English

OLEAN-12-EN-29-OIC ACID, 3-((((1R,2S)-2-CARBOXYCYCLOHEXYL)CARBONYL)OXY)-11-OXO-, SODIUM SALT (1:2), (3.BETA.,20.BETA.)-

Systematic Name

English

OLEAN-12-EN-29-OIC ACID, 3-(((2-CARBOXYCYCLOHEXYL)CARBONYL)OXY)-11-OXO-, DISODIUM SALT, (3.BETA.(CIS),20.BETA.)-

Common Name

English

18.BETA.-GLYCYRRHETINIC ACID HYDROGEN (1R)-CIS-CYCLOHEXANE-1,2-DICARBOXYLATE

Common Name

English

Code System Code Type Description

PUBCHEM

86278248

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

PRIMARY

FDA UNII

3W80D7J7L2

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

PRIMARY

CAS

52048-39-2

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

PRIMARY

CAS

97642-91-6

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

ALTERNATIVE

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