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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H43NO3
Molecular Weight 405.6138
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MINAXOLONE

SMILES

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@@H](N(C)C)[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](O)[C@H](C[C@]34C)OCC

InChI

InChIKey=NCGLTZSBTFVVAW-KNXRZYMVSA-N
InChI=1S/C25H43NO3/c1-7-29-22-14-24(3)16(12-21(22)28)8-9-17-19-11-10-18(15(2)27)25(19,4)13-20(23(17)24)26(5)6/h16-23,28H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H43NO3
Molecular Weight 405.6138
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Minaxolone, a water-soluble steroid anesthetic that was studied in 1970s/1980s. It is a positive allosteric modulator of the GABAA receptor. This compound was withdrawn before registration due to reported toxicity in rats.

Approval Year

Substance Class Chemical
Record UNII
737SKC73L0
Record Status Validated (UNII)
Record Version