Product Name

  • Name

    Nizatidine

  • EINECS 627-310-4
  • CAS No. 76963-41-2
  • Article Data2
  • CAS DataBase
  • Density 1.249 g/cm3
  • Solubility 21.4g/L(temperature not stated)
  • Melting Point 130-132 °C
  • Formula C12H21N5O2S2
  • Boiling Point 478.162 °C at 760 mmHg
  • Molecular Weight 331.463
  • Flash Point 242.984 °C
  • Transport Information
  • Appearance White crystalline powder
  • Safety 36
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 76963-41-2 (Nizatidine)
  • Hazard Symbols HarmfulXn
  • Synonyms Niatidine;Nizatidine (JAN/USP);1,1-Ethenediamine; N-[2-[(dimethylamino) Mythyl]-4- Thiazolyl] Methyl] Ethyl]-Nmethyl-,2-nitro;Naxidine;Tazac;1,1-Ethenediamine, N-(2-(((2-((dimethylamino)methyl)-4-thiazolyl)methyl)thio)ethyl)-N-methyl-2-nitro-;Cronizat;Panaxid;1,1-Ethenediamine,N-[2-[[[2-[(dimethylamino)- methyl]-4-thiazolyl]methyl]thio]ethyl]-N'- methyl-2-nitro-;Nizatidina [Spanish];Antizid;Ulcosol;ZE-101;LY 139037;Axid (TN);Zanizal;1,1-Ethenediamine, N-(2-(((2-((dimethylamino)methyl)-4-thiazoly)methyl)thio)ethyl)-N-methyl-2-nitro-;Calmaxid;Ulxid;Splendil ER;Nizatidinum [Latin];Galitidin;N-(4-(6-Methylamino-7-nitro-2-thia-5-aza-6-hepten-1-yl)-2-thiazolylmethyl)-N,N-dimethylamin;Nizatidine [USAN:BAN:INN:JAN];Distaxid;
  • PSA 139.55000
  • LogP 2.62750

Synthetic route

2-methylamino-2-methylthio-1-nitroethene
102721-76-6, 61832-41-5

2-methylamino-2-methylthio-1-nitroethene

4-[[(2-aminoethyl)thio]-methyl]-N,N-dimethyl-2-thiazolemethanamine
78441-62-0

4-[[(2-aminoethyl)thio]-methyl]-N,N-dimethyl-2-thiazolemethanamine

nizatidine
76963-41-2

nizatidine

Conditions
ConditionsYield
In water at 20 - 35℃; for 8h;81%
In water at 30℃; Temperature;80.6%
4-Hydroxy-4-(chloromethyl)-2-<(dimethylamino)methyl>thiazoline
92759-37-0

4-Hydroxy-4-(chloromethyl)-2-<(dimethylamino)methyl>thiazoline

nizatidine
76963-41-2

nizatidine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: water; potassium hydroxide / 4 h / 15 - 20 °C
2: hydrogen bromide / Reflux
3: water / 30 °C
View Scheme
nizatidine
76963-41-2

nizatidine

cucurbit[7]uril

cucurbit[7]uril

C42H42N28O14*C12H21N5O2S2

C42H42N28O14*C12H21N5O2S2

Conditions
ConditionsYield
In water

Nizatidine History

Nizatidine was developed by Eli Lilly, and was first marketed in 1987. It is considered to be equipotent with ranitidine and differs by the substitution of a thiazole-ring in place of the furan-ring in ranitidine.
In September 2000 Eli Lilly announced that they will sell the sales and marketing rights for Axid, to Reliant Pharmaceuticals. Subsequently, Reliant developed the oral solution of Axid and got approval by the U.S. Food and Drug Administration (FDA) in May 2004 and started marketing it.  However, a year later they sold rights of the Axid Oral Solution to Braintree Laboratories.

Nizatidine Specification

The Nizatidine, with the CAS registry number 76963-41-2, is also known as N-(4-(6-Methylamino-7-nitro-2-thia-5-aza-6-hepten-1-yl)-2-thiazolylmethyl)-N,N-dimethylamin. It belongs to the product categories of Active Pharmaceutical Ingredients; APIs; Intermediates & Fine Chemicals; Pharmaceuticals; API's; Heterocycles; Sulfur & Selenium Compounds. This chemical's molecular formula is C12H21N5O2S2 and molecular weight is 331.46. What's more, its systematic name is N-{2-[({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitro-1,1-ethenediamine. Its classification codes are: (1)Anti-ulcer agents; (2)Anti-ulcerative; (3)Drug / Therapeutic Agent. It is a histamine H2 receptor antagonist with low toxicity that inhibits gastric acid secretion. The drug is used for the treatment of duodenal ulcers. It has also been used experimentally to control weight gain associated with some antipsychotic medication. This chemical is harmful if swallowed. When using it, you need to wear suitable protective clothing.

Physical properties of Nizatidine are:
(1)ACD/LogP: -0.486; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.15; (4)ACD/LogD (pH 7.4): -0.69; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 8.18; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 139.55 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 89.823 cm3; (15)Molar Volume: 265.354 cm3; (16)Polarizability: 35.608×10-24cm3; (17)Surface Tension: 51.51 dyne/cm; (18)Density: 1.249 g/cm3; (19)Flash Point: 242.984 °C; (20)Enthalpy of Vaporization: 74.221 kJ/mol; (21)Boiling Point: 478.162 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)C=C(NC)NCCSCc1nc(sc1)CN(C)C
(2)Std. InChI: InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3
(3)Std. InChIKey: SGXXNSQHWDMGGP-UHFFFAOYSA-N

The toxicity data of Nizatidine is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intramuscular > 225mg/kg (225mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: TETANY

BEHAVIORAL: TREMOR		 Fundamental and Applied Toxicology. Vol. 13, Pg. 778, 1989.
dog LD50 intravenous > 75mg/kg (75mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR		 Fundamental and Applied Toxicology. Vol. 13, Pg. 778, 1989.
dog LD50 oral > 800mg/kg (800mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE		 Fundamental and Applied Toxicology. Vol. 13, Pg. 778, 1989.
monkey LD50 intravenous > 200mg/kg (200mg/kg) BEHAVIORAL: TREMOR

GASTROINTESTINAL: NAUSEA OR VOMITING

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE		 Fundamental and Applied Toxicology. Vol. 13, Pg. 778, 1989.
monkey LD50 oral > 1200mg/kg (1200mg/kg)   Fundamental and Applied Toxicology. Vol. 13, Pg. 778, 1989.
mouse LD50 intravenous 232mg/kg (232mg/kg)   Drugs in Japan Vol. -, Pg. 920, 1995.
mouse LD50 oral 1630mg/kg (1630mg/kg)   Drugs in Japan Vol. -, Pg. 920, 1995.
mouse LD50 subcutaneous 1082mg/kg (1082mg/kg) BEHAVIORAL: COMA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Fundamental and Applied Toxicology. Vol. 13, Pg. 778, 1989.
rat LD50 intravenous 301mg/kg (301mg/kg) BEHAVIORAL: COMA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Fundamental and Applied Toxicology. Vol. 13, Pg. 778, 1989.
rat LD50 oral 1653mg/kg (1653mg/kg)   Drugs in Japan Vol. -, Pg. 920, 1995.
rat LD50 subcutaneous > 2gm/kg (2000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: COMA		 Fundamental and Applied Toxicology. Vol. 13, Pg. 778, 1989.

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