Name: Vitamin
SKU: 1332-94-1

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Basic Information

Molecular Structure:
CAS No.:	1332-94-1
Name:	Vitamin

Formula:	C14H15 N O7
Molecular Weight:	309.30
Synonyms:	b-D-Glucopyranosiduronic acid,cyanophenylmethyl, (R)-;Laetrile;Mandelonitrile b-glucuronide;NSC 103055;Vitamin B17;
Density:	1.55g/cm³
Melting Point:	215°C
Boiling Point:	581.1°Cat760mmHg
Flash Point:	305.2°C
Safety:	Human poison by ingestion. Experimental poison by intraperitoneal route. Human systemic effects by ingestion and multiple routes: central nervous system and gastrointestinal changes. Mutation data reported. A controversial treatment for cancer. When heated to decomposition it emits toxic fumes of NO_x and CN⁻. See also NITRILES.
PSA:	140.24000
LogP:	-0.83992

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Chemistry

IUPAC: 6-[Cyano(phenyl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Laetrile with CAS NO.of 1332-94-1 is also called for Amygdalin ; BRN 5608756 ; NSC 103055 ; Vitamin B(sub 17) ; Vitamin B17 ; beta-D-Glucopyranosiduronic acid, alpha-cyanobenzyl ; l-Mandelonitrile-beta-glucuronoside ; Cyanophenylmethyl-beta-D-glucopyranosiduronic acid ; Mandelonitrile-beta-glucuronide and so on.
CAS:1332-94-1
Molecular Weight: 309.27
Molecular Formula: C₁₄H₁₅NO₇
ACD/LogP: -1.17
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 8
H bond donors: 4
Freely Rotating Bonds: 7
Index of Refraction: 1.634
Molar Refractivity: 71.3 cm³
Molar Volume: 199.2 cm³
Surface Tension: 85.4 dyne/cm
ensity: 1.55 g/cm³
Flash Point: 305.2°C
Enthalpy of Vaporization: 91.41 kJ/mol
Boiling Point: 581.1°C at 760 mmHg
Vapour Pressure: 2.41E-14 mmHg at 25°C
Heavy Atom Count: 22
Formal Charge: 0
Complexity: 442
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 6
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
The molecular structure of Laetrile with CAS NO.of 1332-94-1 :

Uses

Laetrile (CAS NO.1332-94-1) is used as antineoplastic agent.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	1286mg/kg/24W (1286mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: MUSCLE WEAKNESS	JAMA, Journal of the American Medical Association. Vol. 238, Pg. 1361, 1977.
rabbit	LD50	intravenous	687uL/kg (0.687mL/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: ATAXIA	United States Patent Document. Vol. #4337760,
rat	LDLo	intraperitoneal	250mg/kg (250mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION LUNGS, THORAX, OR RESPIRATION: CYANOSIS	JAMA, Journal of the American Medical Association. Vol. 242, Pg. 169, 1979.
women	LDLo	oral	198mg/kg (198mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" LUNGS, THORAX, OR RESPIRATION: DYSPNEA	JAMA, Journal of the American Medical Association. Vol. 239, Pg. 1532, 1978.
women	TDLo	multiple routes	4170mg/kg/8W (4170mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Cancer Treatment Reports. Vol. 62, Pg. 169, 1978.
women	TDLo	oral	60mg/kg (60mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" LIVER: FATTY LIVER DEGERATION	Southern Medical Journal. Vol. 79, Pg. 259, 1986.

Consensus Reports

Cyanide and its compounds are on The Community Right-To-Know List.

Safety Profile

Human poison by ingestion. Experimental poison by intraperitoneal route. Human systemic effects by ingestion and multiple routes: central nervous system and gastrointestinal changes. Mutation data reported. A controversial treatment for cancer. When heated to decomposition it emits toxic fumes of NO_x and CN⁻. See also NITRILES.

Specification

Removal in wastewater treatment of Laetrile (CAS NO.1332-94-1) :
Total removal:1.85 percent
Total biodegradation:0.09 percent
Total sludge adsorption:1.76 percent
Total to air:0.00 percent
(using 10000 hr Bio P,A,S)