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Details

Stereochemistry ABSOLUTE
Molecular Formula 3C30H45O4.Al
Molecular Weight 1436.0092
Optical Activity UNSPECIFIED
Defined Stereocenters 27 / 27
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENOXOLONE ALUMINUM

SMILES

[Al+3].[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](O)C(C)(C)[C@]5([H])CC[C@@]34C)C([O-])=O.[H][C@@]67C[C@](C)(CC[C@]6(C)CC[C@]8(C)C7=CC(=O)[C@]9([H])[C@@]%10(C)CC[C@H](O)C(C)(C)[C@]%10([H])CC[C@@]89C)C([O-])=O.[H][C@@]%11%12C[C@](C)(CC[C@]%11(C)CC[C@]%13(C)C%12=CC(=O)[C@]%14([H])[C@@]%15(C)CC[C@H](O)C(C)(C)[C@]%15([H])CC[C@@]%13%14C)C([O-])=O

InChI

InChIKey=JIQUHOXNCWKESF-UBYPFOLZSA-K
InChI=1S/3C30H46O4.Al/c3*1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;/h3*16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);/q;;;+3/p-3/t3*19-,21-,22-,23+,26+,27-,28-,29+,30+;/m000./s1

HIDE SMILES / InChI

Molecular Formula Al
Molecular Weight 26.9815
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C30H45O4
Molecular Weight 469.6759
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:05:31 UTC 2023
Edited
by admin
on Fri Dec 15 18:05:31 UTC 2023
Record UNII
E3P03E2A65
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENOXOLONE ALUMINUM
Common Name English
Enoxolone aluminate [WHO-DD]
Common Name English
ENOXOLONE ALUMINATE
WHO-DD  
Common Name English
OLEAN-12-EN-29-OIC ACID, 3-HYDROXY-11-OXO-, ALUMINUM SALT (3:1), (3.BETA.,20.BETA.)-
Systematic Name English
Code System Code Type Description
EVMPD
SUB01891MIG
Created by admin on Fri Dec 15 18:05:31 UTC 2023 , Edited by admin on Fri Dec 15 18:05:31 UTC 2023
PRIMARY
DRUG BANK
DBSALT002291
Created by admin on Fri Dec 15 18:05:31 UTC 2023 , Edited by admin on Fri Dec 15 18:05:31 UTC 2023
PRIMARY
PUBCHEM
25210759
Created by admin on Fri Dec 15 18:05:31 UTC 2023 , Edited by admin on Fri Dec 15 18:05:31 UTC 2023
PRIMARY
CAS
4598-66-7
Created by admin on Fri Dec 15 18:05:31 UTC 2023 , Edited by admin on Fri Dec 15 18:05:31 UTC 2023
PRIMARY
SMS_ID
100000087262
Created by admin on Fri Dec 15 18:05:31 UTC 2023 , Edited by admin on Fri Dec 15 18:05:31 UTC 2023
PRIMARY
ECHA (EC/EINECS)
224-998-4
Created by admin on Fri Dec 15 18:05:31 UTC 2023 , Edited by admin on Fri Dec 15 18:05:31 UTC 2023
PRIMARY
FDA UNII
E3P03E2A65
Created by admin on Fri Dec 15 18:05:31 UTC 2023 , Edited by admin on Fri Dec 15 18:05:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE