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Ranitidine hydrochloride structure
Ranitidine hydrochloride structure

Ranitidine hydrochloride

Iupac Name:1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;hydrochloride
CAS No.:71130-06-8
Molecular Weight:350.862
Introduction: A histamine H2-receptor antagonist View more+
1. Names and Identifiers
1.1 Name
Ranitidine hydrochloride
1.2 Synonyms

[(Dimethylamino)methyl]furfuryl]thio]ethyl]-N'-methyl-2-nitrovinylidenediamine monohydrochloride 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-, hydrochloride (1:1) Azantac EINECS 275-207-4 MFCD00069339 -N-(2-(((5-((Dimethylamino) N-[2-[[[5-[(DIMETHYLAMINO)METHYL]-2-FURANYL]METHYL]THIO]ETHYL]-N'-METHYL-2-NITRO-1,1-ETHANEDIAMINE HYDROCHLORIDE N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitro-1,1-ethenediamine hydrochloride (1:1) N1'-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-N1-methyl-2-nitroethene-1,1-diamine -N-methyl-2-nitroethene-1,1-diamine Noctone Raniben Ranidil Raniplex RANITIDINE (ranitidine) RANITIDINE HCL Ranitidine HCl salt Sostril Taural Terposen Trigger Ulcex Ultidine UNII-BK76465IHM ZANTAC Zantic

1.3 CAS No.
71130-06-8
1.4 CID
3033332
1.5 EINECS(EC#)
266-333-0; 275-207-4
1.6 Molecular Formula
C13H23ClN4O3S (isomer)
1.7 Inchi
InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;
1.8 InChkey
GGWBHVILAJZWKJ-KJEVSKRMSA-N
1.9 Canonical Smiles
CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.Cl
1.10 Isomers Smiles
CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C.Cl
2. Properties
3.1 Boiling point
437.1 °C at 760 mmHg
3.1 Flash Point
218.2 °C
3.1 Precise Quality
350.11800
3.1 PSA
111.56000
3.1 logP
3.56600
3.1 Solubility
H2O: 1.8?mg/mL
3.2 Color/Form
tan
3.3 Water Solubility
H2O: 1.8?mg/mL
3. Use and Manufacturing
4.1 Usage
A histamine H2-receptor antagonist
4. Safety and Handling
5.1 Risk Statements
R20/21/22
5.1 Safety Statements
S22;S24/25
5.1 WGK Germany
2
5.1 RTECS
KM6557000
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Respiratory sensitization, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P284 [In case of inadequate ventilation] wear respiratory protection.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

7. Other Information
7.0 Veterinary Drugs and Treatments
In veterinary medicine, ranitidine has been used for the treatment and/or prophylaxis of gastric, abomasal, and duodenal ulcers, uremic gastritis, stress-related or drug-induced erosive gastritis, esophagitis, duodenal gastric reflux and esophageal reflux. It has also been employed to treat hypersecretory conditions associated with gastrinomas and systemic mastocytosis. Because of its effects on gastric motility, ranitidine may be useful in increasing gastric emptying, particularly when delayed gastric emptying is associated with gastric ulcer disease. Ranitidine may also be useful to stimulate colonic activity in cats via its prokinetic effects.
7.1 Uses
A histamine H2-receptor antagonist
8. Computational chemical data
  • Molecular Weight:350.862g/mol
  • Molecular Formula:C13H23ClN4O3S
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:350.1179395
  • Monoisotopic Mass:350.1179395
  • Complexity:347
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:112
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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