Pentamidine

Description

Pentamidine · CAS 100-33-4 · C19H24N4O2. UNII 673LC5J4LQ. Melting Point: 186; Melting Point: Decomposes at 186 °C; Melting Point: 186.0 °C (decomposes).

Identification

CAS Registry Number	100-33-4
PubChem CID	4735
Molecular formula	C19H24N4O2
IUPAC name	4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
UNII (FDA)	673LC5J4LQ

Computed Descriptors

Molecular Weight	340.4
XLogP3	2.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	340.18992602
Monoisotopic Mass	340.18992602
Topological Polar Surface Area	118
Heavy Atom Count	25
Formal Charge	0

Physical & Chemical Properties

Melting Point	186
Melting Point	Decomposes at 186 °C
Melting Point	186.0 °C (decomposes)
Solubility	2.36e-02 g/L

Physical description & handling notes

• Solid
• Crystallizes as colorless plates from water
• Complete
• Mol wt: 592.69. Hygroscopic, very bitter crystals, mp approx 180 °C. Slight butyric odor. Sol in water (approx 1 in 10 at 25 °C, approx 1 in 4 at 100 °C); sol in glycerol, more readily on warming; slightly sol in alcohol. Insol in ether, acetone, chloroform, liq petr. pH of a 5% w/v soln in water: 4.5 to 6.5. /Isethioante/
• After reconstitution with sterile water, the Pentam solution is stable for 48 hours in the original vial at room temperature if protected from light.
• 177.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5023796]

GHS Hazard Classification

Reported hazard statements	H302 (100%), H315 (100%), H319 (100%), H335 (100%)

Documented Uses

• THERAP CAT: Antiprotozoal (Trypanosoma, Leishmania); antipneumocystic
• THERAP CAT (VET): Antiprotozoal (Babesia, Leishmania)
• For the treatment of pneumonia due to <i>Pneumocystis carinii</i>.
• Saturating an anhydrous alcoholic solution of 4,4'-dicyanodiphenoxypentane with dry hydrogen chloride and allowing it to stand gives pentamidine.
• Preparation: A.J. Ewins, GB 507565 (1939)
• For the treatment of pneumonia due to Pneumocystis carinii.

Synonyms

pentamidine; 100-33-4; Pentamidina; 4,4'-(Pentamethylenedioxy)dibenzamidine; Pentamidin; Pentamidinum; 4,4'-Diamidinodiphenoxypentane; p,p'-(Pentamethylenedioxy)dibenzamidine; Pentam 300 (as isethionate); Nebupent (as isethionate); Pentacarinat (as isethionate); 1,5-bis(4-amidinophenoxy)pentane; Benzenecarboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis-; MP-601205; NSC-9921; MB 800 FREE BASE

Frequently Asked Questions

What are the CAS number and molecular formula of Pentamidine?

CAS 100-33-4; molecular formula C19H24N4O2; molecular weight — g/mol.

What other names is Pentamidine known by?

pentamidine, 100-33-4, Pentamidina, 4,4'-(Pentamethylenedioxy)dibenzamidine, Pentamidin, Pentamidinum.

Is Pentamidine classified as hazardous?

Hazard statements reported: H302, H315, H319, H335.

What are the key physical properties of Pentamidine?

Melting Point: 186; Melting Point: Decomposes at 186 °C; Melting Point: 186.0 °C (decomposes); Solubility: 2.36e-02 g/L.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.