Azabicyclane citrate supplier

Name
azabicyclane
EINECS
CAS No. 21650-02-2
Density g/cm³
Solubility
Melting Point
Formula C₁₆H₂₃NO•C₆H₈O₇
Boiling Point 332.7°Cat760mmHg
Molecular Weight 437.54
Flash Point 98.3°C
Transport Information
Appearance
Safety Poison by ingestion, subcutaneous, and intravenous routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (1R,5S)-9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane 2-hydroxypropane-1,2,3-tricarboxylate (1:1);
PSA 144.60000
LogP 1.57940

Azabicyclane citrate Chemical Properties

Product Name: Azabicyclane citrate (CAS NO.21650-02-2)

Molecular Formula: C₁₆H₂₃NO•C₆H₈O₇
Molecular Weight: 437.54g/mol
Mol File: 21650-02-2.mol
Boiling point: 332.7 °C at 760 mmHg
Flash Point: 98.3 °C
Enthalpy of Vaporization: 57.54 kJ/mol
Vapour Pressure: 0.000144 mmHg at 25°C
H-Bond Donor: 4
H-Bond Acceptor: 9
Structure Descriptors of Azabicyclane citrate (CAS NO.21650-02-2):
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;(1R,5S)-9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane
Canonical SMILES: CN1CC2CCCC(C1)C2(C3=CC=CC=C3)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Isomeric SMILES: CN1C[C@H]2CCC[C@@H](C1)C2(C3=CC=CC=C3)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI: InChI=1S/C16H23NO.C6H8O7/c1-17-11-14-9-6-10-15(12-17)16(14,18-2)13-7-4-3-5-8-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,7-8,14-15H,6,9-12H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t14-,15+,16?;
InChIKey: UZKDXESOJFBSJS-JXMYBXCISA-N

Azabicyclane citrate Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: ANALGESIA VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION	Toxicology and Applied Pharmacology. Vol. 17, Pg. 344, 1970.
mouse	LD50	oral	300mg/kg (300mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: ANALGESIA VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION	Toxicology and Applied Pharmacology. Vol. 17, Pg. 344, 1970.
mouse	LD50	subcutaneous	200mg/kg (200mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: ANALGESIA VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION	Toxicology and Applied Pharmacology. Vol. 17, Pg. 344, 1970.
rat	LD50	intraperitoneal	93800ug/kg (93.8mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 3, Pg. 195, 1972.
rat	LD50	intravenous	74100ug/kg (74.1mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 3, Pg. 195, 1972.
rat	LD50	subcutaneous	130mg/kg (130mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: ANALGESIA VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION	Toxicology and Applied Pharmacology. Vol. 17, Pg. 344, 1970.

Azabicyclane citrate Safety Profile

Poison by ingestion, subcutaneous, and intravenous routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of NO_x.

Azabicyclane citrate Specification

Azabicyclane citrate ,its CAS NO. is 21650-02-2,the synonyms is 4-beta-Methoxy-1-methyl-4-alpha-phenyl-3-alpha,5-alpha-propanopiperidine hydrogen citrate ; 9-Methoxy-3-methyl-9-phenyl-3-azabicyclo(3.3.1)nonane syn-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) ; 9-beta-Methoxy-9-alpha-phenyl-3-methyl-3-azabicyclo(3.3.1)nonane citrate ; 3-Azabicyclo(3.3.1)nonane, 9-methoxy-3-methyl-9-phenyl-, citrate (1:1), stereoisomer ; 3-Azabicyclo(3.3.1)nonane, 9-methoxy-3-methyl-9-phenyl-, syn-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) .

Product Name

azabicyclane

Azabicyclane citrate Chemical Properties

Azabicyclane citrate Toxicity Data With Reference

Azabicyclane citrate Safety Profile

Azabicyclane citrate Specification

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