Chlorhexidine phosphanilate

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MedKoo CAT#: 412849

CAS#: 77146-42-0 (phosphanilate)

Description: Chlorhexidine phosphanilate is an antibacterial used for prophylactic treatment of burns.


Chemical Structure

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Chlorhexidine phosphanilate
CAS# 77146-42-0 (phosphanilate)

Theoretical Analysis

MedKoo Cat#: 412849
Name: Chlorhexidine phosphanilate
CAS#: 77146-42-0 (phosphanilate)
Chemical Formula: C34H46Cl2N12O6P2
Exact Mass: 850.2516
Molecular Weight: 851.67
Elemental Analysis: C, 47.95; H, 5.44; Cl, 8.32; N, 19.74; O, 11.27; P, 7.27

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 77146-42-0 (phosphanilate)   3697-42-5 (HCl)   18472-51-0 (gluconate)   55-56-1 (free base)  

Synonym: Chlorhexidine phosphanilate; WP973; WP-973; WP 973

IUPAC/Chemical Name: 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, (4-aminophenyl)phosphonate (1:2)

InChi Key: NSCOCGOFKMUTMW-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H30Cl2N10.2C6H8NO3P/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-5-1-3-6(4-2-5)11(8,9)10/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1-4H,7H2,(H2,8,9,10)

SMILES Code: N=C(NC1=CC=C(Cl)C=C1)NC(NCCCCCCNC(NC(NC2=CC=C(Cl)C=C2)=N)=N)=N.NC3=CC=C(P(O)(O)=O)C=C3.NC4=CC=C(P(O)(O)=O)C=C4

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 851.67 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Wang JC, Williams RR, Wang L, Loder J. In vitro skin permeation and bioassay of chlorhexidine phosphanilate, a new antimicrobial agent. Pharm Res. 1990 Oct;7(10):995-1002. doi: 10.1023/a:1015978714186. PMID: 2281046.

2: Miller LM, Loder JS, Hansbrough JF, Peterson HD, Monafo WW, Jordan MH. Patient tolerance study of topical chlorhexidine diphosphanilate: a new topical agent for burns. Burns. 1990 Jun;16(3):217-20. doi: 10.1016/0305-4179(90)90044-w. PMID: 2383364.

3: Loder JS, Krochmal L. Topical chlorhexidine phosphanilate for prophylactic treatment of burns. N Engl J Med. 1986 May 8;314(19):1256-7. PMID: 3702924.

4: Gadde RR, McNiff EF, Peer MM. High-performance liquid chromatographic analysis of chlorhexidine phosphanilate, a new antimicrobial agent. J Pharm Biomed Anal. 1991;9(10-12):1031-6. doi: 10.1016/0731-7085(91)80040-g. PMID: 1822169.