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hydrochloride structure
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hydrochloride

TL;DR: hydrochloride (CAS 21462-39-5) is a chemical compound with molecular formula C18H34Cl2N2O5S and molecular weight 460.15656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride

Also Known As: hydrochloride, Dalacin (TN), Clindamycin hydrochloride, Clindamycin hydrochloride monohydrate, I06-1757

CAS Number
21462-39-5
Molecular Formula
C18H34Cl2N2O5S
Molecular Weight
460.15656 g/mol
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Application Areas

Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (4 patents) Biotechnology (3 patents) Pharmaceutical Intermediates (6 patents)

Technical Specifications

Molecular FormulaC18H34Cl2N2O5S
Molecular Weight460.15656 g/mol
XLogP0.8113
Topological Polar Surface Area (TPSA)128.0 Ų
Hydrogen Bond Donors5
Hydrogen Bond Acceptors7
Rotatable Bonds7
Exact Mass460.15656 Da
Heavy Atoms28
Complexity502.0
SMILESCCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)Cl.Cl
InChIKeyAUODDLQVRAJAJM-GQYOKNPUSA-N

Chemical Property Profile of hydrochloride

XLogP
0.8113
TPSA (Topological Polar Surface Area)
128.0
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
7
Rotatable Bonds
7
Heavy Atoms
28
Complexity
502.0
Exact Mass
460.15656
Monoisotopic Mass
460.15656
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of hydrochloride

The XLogP value of 0.8113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for hydrochloride. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for hydrochloride. Following Lipinski's Rule of Five, hydrochloride has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of hydrochloride?

The CAS number of hydrochloride is 21462-39-5.

What is the molecular formula of hydrochloride?

The molecular formula of hydrochloride is C18H34Cl2N2O5S.

What is the molecular weight of hydrochloride?

The molecular weight of hydrochloride is 460.15656 g/mol.

Where can I buy hydrochloride?

You can request a quote for hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for hydrochloride?

Yes, CoreyChem provides custom synthesis services for hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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