Monocrotaline hydrochloride

(1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione;hydrochloride

Also Known As: Monocrotaline hydrochloride|Monocrotalin hydrochloride|Monocrotaline, hydrochloride|MONOCROTALINE HYDROC [MI]|KST-1A9146|(3r,4r,5r,13ar,13br)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione hydrochloride(1:1)|20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, hydrochloride, (13-alpha,14-alpha)-|(3R,4R,5R,13aR,13bR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione--hydrogen chloride (1/1)|20-NORCROTALANAN-11,15-DIONE, 14,19-DIHYDRO-12,13-DIHYDROXY-, HYDROCHLORIDE, (13.ALPHA.,14.ALPHA.)-|20-Norcrotolanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, hydrochloride, (13.alpha.,14.alpha.)-|4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione--hydrogen chloride (1/1)

Molecular Formula	C16H24ClNO6
Molecular Weight	361.1292 g/mol
LogP	0.03
Topological Polar Surface Area	96.3 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	0
Exact Mass	361.1292
Heavy Atoms	24
Complexity	572.9

Chemical Identifiers

CAS Number	901-82-6
SMILES	C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O.Cl