5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,octahydro-2-imino-, (4R,4aR,5R,7S,9S,10S,10aR,11S,12R)- (81520-41-4)

Identification
Name:	5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,octahydro-2-imino-, (4R,4aR,5R,7S,9S,10S,10aR,11S,12R)-
Synonyms:	Tetrodotoxin,6-de(hydroxymethyl)-, (6b)-; 11-Nortetrodotoxin-6(R)-ol
CAS:	81520-41-4
Molecular Formula:	C10H15 N3 O7
Molecular Weight:	289.242
InChI:	InChI=1/C10H15N3O7/c11-8-12-6(16)1-3-2(14)4-5(15)9(1,13-8)7(17)10(18,19-3)20-4/h1-7,14-18H,(H3,11,12,13)/t1-,2+,3+,4?,5-,6-,7-,9-,10?/m1/s1
Molecular Structure:
Properties
Flash Point:	396.5°C
Boiling Point:	732°Cat760mmHg
Density:	3.01g/cm³
Refractive index:	2.226
Flash Point:	396.5°C
Safety Data

Other Product

5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,2-amino-3,4,4a,5,9,10-hexahydro-12-(hydroxymethyl)-,(4R,4aR,5R,7S,9S,10S,10aR,11S,12R)-
5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,2-amino-12-(dihydroxymethyl)-3,4,4a,5,9,10-hexahydro-,(4R,4aR,5R,7S,9S,10S,10aR,11S,12S)-
5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,2-amino-1,4,4a,5,9,10-hexahydro-12-(hydroxymethyl)-,(4R,4aR,5R,7S,9S,10S,10aR,11S,12S)-
5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-12-propanoicacid, a-aminooctahydro-b,4,7,10,11,12-hexahydroxy-2-imino-,(aS,bR,4R,4aR,5R,7S,9S,10S,10aR,11S,12S)- (9CI)
5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol,2-amino-3,4,4a,5,9,10-hexahydro-12-(hydroxymethyl)-,(4S,4aR,5R,7S,9S,10S,10aR,11S,12S)-
Octahydro-12-hydroxymethyl-2-imino-5,9:7,10a-dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol
4H-10,11a-Methano-2H-benzofuro[2,3-f][2]benzopyran-7-aceticacid,9-(acetyloxy)-4-(3-furanyl)dodecahydro-10,10a-dihydroxy-4a,6b,8,8-tetramethyl-12-(2-methyl-1-oxopropoxy)-2-oxo-,methyl ester, (4R,4aR,6aR,6bS,7S,9S,10S,10aR,11aS,11bR,12R)-
4H-10,11a-Methano-2H-benzofuro[2,3-f][2]benzopyran-7-aceticacid,9-(acetyloxy)-4-(3-furanyl)-4a,5,6,6a,6b,7,8,9,10,10a-decahydro-10,10a-dihydroxy-4a,6b,8,8-tetramethyl-12-(2-methyl-1-oxopropoxy)-2-oxo-,methyl ester, (4R,4aR,6aR,6bS,7S,9S,10S,10aR,11aR,12R)- (9CI)
5,12-Epoxybenzocyclodecene-6,7-diol,3,4,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-9-hydroperoxy-1,6-dimethyl-10-methylene-4-(1-methylethyl)-,7-acetate, (4R,4aR,5R,6R,7S,9S,12R,12aR)-
Spiro[furan-3(2H),7'(4'H)-naphtho[2,1-g]quinoline]-4',5,6',10'(4H,6'aH,7'aH)-tetrone,1',4'a,5',8',9',11',12'a,12'b-octahydro-2',5',7'a,12'a-tetramethyl-11'-[[(2R,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]methyl]-,(3S,4'aS,5'S,6'aR,7'aR,12'aS,12'bS)-rel-(+)- (9CI)
13H-12,16-Imino-2H,5H-pyrano[3,2-o][1,7,10,- 13]oxatriazacyclotetracosine-5,8,11,17(14H)- tetrone,19-[(1E,3E,7S,8S)-9-[(2S,3R,4S,5S,- 6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11- trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undec- 2-yl]-8-hydroxy-1,7-dimethyl-1,3- nonadienyl]-3,4,4a,6,7,9,10,15,16,19,20,25,26,- 26a-tetradecahydro-25-hydroxy-10-[(3- hydroxyphenyl)methyl]-2-methoxy-2,26- dimethyl-7-(1-methylethyl)-,(2S,4aR,7S,10S,- 16S,19S,21E,23E,25S,26S,26aR)-
2-Furancarboxylic acid,5-[(2R,3R,4R,5S,7R,9S,10S,12R,15R)-9-[(1R,3S,4S,5R,7S)-7-(2-carboxy-3-hydroxy-4-methylphenyl)-4-hydroxy-1,3,5-trimethyl-2-oxooctyl]-15-hydroxy-3-methoxy-2,4,10,12-tetramethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-2-yl]tetrahydro-3-hydroxy-,2-ethyl ester, (2S,3R,5R)- (9CI)
6H-Oxireno[c]oxireno[5',6']benzo[1',2':4,5]cyclodeca[ 1,2-b]furan-1(12aH)-one,5,8-bis- (acetyloxy)-2a,5,7,7a,8,9,9a,10a,10b,11- decahydro-11-hydroxy-4,7a,10a,12a-tetramethyl- 7-(1-oxopropoxy)-,(2aS,3Z,5R,7S,- 7aR,8S,9aS,10aR,10bS,11S,11aR,12aR)-
11H-5,10a:8,11-Dimethano-1H-indeno[1,2-c]isoindole-4-carboxaldehyde,1,13-bis(acetyloxy)-2-(benzoyloxy)dodecahydro-12-hydroxy-4,6-dimethyl-9-methylene-7-oxo-,(1S,2R,4R,4aS,5R,6aR,6bS,8R,10aR,11R,11aR,12R,13S)-
Butanoic acid,esters,(2aS,3Z,5R,7S,7aR,8S,9aS,- 10aR,10bS,11S,11aR,12aR)-5,8-bis(acetyloxy)- 1,2a,5,7,7a,8,9,9a,10a,10b,11,12a-dodecahydro- 11-hydroxy-4,7a,10a,12a-tetramethyl-1-oxo- 6H-oxireno[c]oxireno[5',6']benzo[1',2':4,5]cyclodeca[ 1,2-b]furan-7-yl ester
(2S,5R,7S,9S,10S,12R,15R)-2-((2R,5R,6S)-5-ethyl-6-methyl-5-((triethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)-2,10,12-trimethyl-9-((S)-1-((triethylsilyl)oxy)butan-2-yl)-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-15-ol
1/C12H9NO/c14-9-11-3-1-2-4-12(11)10-5-7-13-8-6-10/h1-9
2H-Cyclopenta[b]naphtho[2,3-d]furan-10-aceticacid,6-carboxy-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5-hydroxy-1,6,9a,10a-tetramethyl-9-oxo-,10-methyl ester, (2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-
Butanoic acid,esters,(4R,4aR,5R,6R,9S,10R,12R,- 12aR)-tetradecahydro-9,10-dihydroxy-6,10- dimethyl-1-methylene-4-(1-methylethyl)-5,- 12-epoxybenzocyclodecen-6-yl ester
(R)-4-((2S,5S,7S,9S,10S,12R,15R)-2-((2R,5R,6S)-5-ethyl-6-methyl-5-((triethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl)hexan-3-one