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Ranitidine Hydrochloride

CAS: 66357-59-3 | C13H23ClN4O3S

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 66357-59-3

Molecular Formula: C13H23ClN4O3S

Molecular Weight: 350.872 g/mol

Names and Synonyms:

Ranitidine Hydrochloride Synonym

1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N′-methyl-2-nitro-, hydrochloride (1:1) Synonym

1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N′-methyl-2-nitro-, monohydrochloride Synonym

Ranitidine hydrochloride Synonym

AH 19065 Synonym

Zantac Synonym

Ranigast Synonym

Ranuber Synonym

Normon Synonym

Azantac Synonym

Ultac Synonym

Sostril Synonym

Raniogas Synonym

Urantac Synonym

Rantacid Synonym

Antagonin Synonym

Ranisen Synonym

Ranix Synonym

Ezopta Synonym

Ranacid Synonym

Radinat Synonym

Histac Synonym

Achedos Synonym

Xanidine Synonym

Axoban Synonym

Raticina Synonym

Ratic Synonym

Histak Synonym

Zinetac Synonym

Ranitiget Synonym

Ulcex Synonym

Ulceranin Synonym

Ulceran Synonym

Consec Synonym

Quicran Synonym

Raniplex Synonym

Anistal Synonym

Rosimol Synonym

Simetac Synonym

Lydin Synonym

Apozan Synonym

Rantac Synonym

Aciloc Synonym

Apo-Ranitidine Synonym

Randin Synonym

Ptinolin Synonym

Eltidine Synonym

Gastrosedol Synonym

Raniben Synonym

Zantab Synonym

Zantadin Synonym

Galidrin Synonym

Vesyca Synonym

Microtid Synonym

Ranidil Synonym

Ulcirex Synonym

Coralen Synonym

Rani 2 Synonym

Ranimex Synonym

Gastridin Synonym

Gastrial Synonym

Neoceptin R Synonym

Ranial Synonym

Aldin Synonym

Zantic Synonym

Atural Synonym

Weidos Synonym

Ranital Synonym

RND Synonym

Rantin Synonym

Acloral Synonym

Ranin Synonym

Vizerul Synonym

Ulsal Synonym

Ranidine Synonym

Ul-Pep Synonym

Weichilin Synonym

Verlost Synonym

Acidex Synonym

Curan Synonym

Taural Synonym

Quantor Synonym

Trigger Synonym

Melfax Synonym

Terposen Synonym

Noctone Synonym

Ultidine Synonym

Ranitidine-akri Synonym

Rantidol Synonym

Ranitin Synonym

Zintac Synonym

Ranitab Synonym

Identifiers:

SMILES:

CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl

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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

PubChem CAS NIST

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property	Value	Source
molecular_mass	350.87 g/mol	Legacy Database
cas-canonical-smile	Cl.O=N(=O)C=C(NC)NCCSCC=1OC(=CC1)CN(C)C None	Legacy Database
cas-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 None	Legacy Database
cas-inchi-key	InChIKey=GGWBHVILAJZWKJ-UHFFFAOYSA-N None	Legacy Database
cas-melting-point	133-134 °C None	Legacy Database
cas-name	Ranitidine hydrochloride None	Legacy Database
LogP	1.8808000000000002	RDKit

Molecular

Property	Value	Source
Molecular Weight	350.872 g/mol	RDKit

Exact

Property	Value	Source
Exact Molecular Weight	350.11793927599996 g/mol	RDKit

Heavy

Property	Value	Source
Heavy Atom Count	22 count	RDKit

Hydrogen

Property	Value	Source
Hydrogen Bond Acceptors	7 count	RDKit
Hydrogen Bond Donors	2 count	RDKit

Rotatable

Property	Value	Source
Rotatable Bonds	10 count	RDKit

Aromatic

Property	Value	Source
Aromatic Ring Count	1 count	RDKit

Topological

Property	Value	Source
Topological Polar Surface Area	83.58 Å²	RDKit

Molar

Property	Value	Source
Molar Refractivity	91.64880000000004	RDKit