Alfadolone

Alfadolone
Clinical data
Other names	3α,21-dihydroxy-5α-pregnane-11,20-dione
Routes of; administration	Intravenous
ATC code	none;
Identifiers
	IUPAC name (3R,5S,9S,14S)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;
CAS Number	14107-37-0 ;
PubChem CID	71680;
ChemSpider	7974182 ;
UNII	OE1C96974E;
ChEMBL	ChEMBL2104019 ;
CompTox Dashboard (EPA)	DTXSID501016382 ;
ECHA InfoCard	100.034.496
Chemical and physical data
Formula	C21H32O4
Molar mass	348.483 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C2[C@H]3[C@H]([C@@H]1CC[C@H](C(=O)CO)[C@@]1(C)C2)CC[C@H]4C[C@H](O)CC[C@]34C;
	InChI InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,19+,20-,21-/m0/s1 ; Key:XWYBFXIUISNTQG-VKMGZQQJSA-N ;
	(what is this?) (verify)

Alfadolone (INN), or alphadolone is a neuroactive steroid and general anesthetic.^[1] Along with alfaxolone, as alfadolone acetate, it is one of the components of the anesthetic drug mixture althesin.^[1]

Chemistry

^ ^a ^b Ganellin CR, Triggle DJ (21 November 1996). Dictionary of Pharmacological Agents. CRC Press. pp. 1094–. ISBN 978-0-412-46630-4.

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Clinical data

Other names	3α,21-dihydroxy-5α-pregnane-11,20-dione
Routes of administration	Intravenous
ATC code	none
Identifiers
IUPAC name (3R,5S,9S,14S)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
CAS Number	14107-37-0^N
PubChem CID	71680
ChemSpider	7974182^Y
UNII	OE1C96974E
ChEMBL	ChEMBL2104019^N
CompTox Dashboard (EPA)	DTXSID501016382
ECHA InfoCard	100.034.496
Chemical and physical data
Formula	C₂₁H₃₂O₄
Molar mass	348.483 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=C2[C@H]3[C@H]([C@@H]1CC[C@H](C(=O)CO)[C@@]1(C)C2)CC[C@H]4C[C@H](O)CC[C@]34C
InChI InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,19+,20-,21-/m0/s1^Y Key:XWYBFXIUISNTQG-VKMGZQQJSA-N^Y
^NY (what is this?) (verify)