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93107-08-5

Basic Information
CAS No.: 93107-08-5
Name: 3-Quinolinecarboxylicacid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-,hydrochloride (1:1)
Molecular Structure:
Molecular Structure of 93107-08-5 (3-Quinolinecarboxylicacid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-,hydrochloride (1:1))
Formula: C17H18FN3O3.HCl
Molecular Weight: 367.80
Synonyms: 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-;1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-;Ciprofloxacin monohydrochloride;
EINECS: 642-985-5
Density:
Melting Point: >300 °C
Boiling Point: 581.8 °C at 760 mmHg
Flash Point: 305.6 °C
Solubility:
Appearance: white or light yellow crystalline powder
Hazard Symbols: R36/37/38:;
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety: 24/25
Transport Information:
PSA: 74.57000
LogP: 2.77910
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    Product Detail CAS Number:85721-33-1 Name:3-Quinolinecarboxylicacid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)- Superlist Name:Ciprofloxacin Formula:C17H18F N3 O3 Molecular Weight:331.34 Synonyms:1-Cyclopropyl-6-

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Specification

The Ciprofloxacin Hydrochloride, with the CAS registry number 93107-08-5, is also known as 1-Cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydro-3-quinolinecarboxylic acid hydrochloride (1:1). This chemical's molecular formula is C17H18FN3O3·HCl and molecular weight is 367.80. What's more, both its IUPAC name and systematic name are the same which is called 1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid hydrochloride.

Physical properties about Ciprofloxacin Hydrochloride are: (1)ACD/LogP: 0.654; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.87; (4)ACD/LogD (pH 7.4): -1.35; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.09 Å2; (13)Flash Point: 305.6 °C; (14)Enthalpy of Vaporization: 91.5 kJ/mol; (15)Boiling Point: 581.8 °C at 760 mmHg; (16)Vapour Pressure: 2.24E-14 mmHg at 25 °C.

Preparation of Ciprofloxacin Hydrochloride: this chemical can be prepared by Piperazine with 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid. This reaction needs solvent pyridine at temperature of 105-113 °C. The reaction time is 1 hour. The yield is 78 %.

Ciprofloxacin Hydrochloride can be prepared by Piperazine with 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)C4CC4
(2) InChI: InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H
(3) InChIKey: DIOIOSKKIYDRIQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LD50 oral > 5gm/kg (5000mg/kg)   Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 11, Pg. 411, 1985.
mouse LD50 intramuscular 258mg/kg (258mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
mouse LD50 intravenous 258mg/kg (258mg/kg)   Yakkyoku. Pharmacy. Vol. 39, Pg. 1752, 1988.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat LD50 intramuscular 300mg/kg (300mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat LD50 intravenous 300mg/kg (300mg/kg)   Yakkyoku. Pharmacy. Vol. 39, Pg. 1752, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.