CAS No.1405-37-4,Capastat sulfate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1405-37-4
Name:	Capastat sulfate

Formula:	C₂₅H₄₄N₁₄O₇^.H₂SO₄
Molecular Weight:	750.78
Synonyms:	3,6-diamino-N-[[(8Z)-15-amino-11-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide; sulfuric acid;Capreomycin,sulfate (salt);Caprocin;Capreomycin sulfate;Capreomycin Sulphate;Capastat sulfate.Capreomycin sulphate;Capreomycin sulfate;Capromycin sulfate;
EINECS:	215-776-8
Boiling Point:	1376.7 °C at 760 mmHg
Flash Point:	786.4 °C
Solubility:	Freely soluble in water
Appearance:	White powder
Hazard Symbols:	T
Risk Codes:	61-20/21/22
Safety:	53-22-36/37/39-45
PSA:	458.90000
LogP:	-2.00290

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Specification

This chemical is called Capastat sulfate, and its CAS registry number is 1405-37-4. With the molecular formula of C₂₅H₄₄N₁₄O₇^.H₂SO₄, its molecular weight is 750.78. Additionally, its product categories are A - KAntibiotics; Antibacterial; Antibiotics A to;A ntibiotics A-FAntibiotics; Interferes with DNA Synthesis; Mechanism of Action; Spectrum of Activity.

Other characteristics of the Capastat sulfate can be summarised as followings: (1)ACD/LogP: -10.95; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -16.65; (4)ACD/LogD (pH 7.4): -15.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 22; (10)#H bond donors: 19; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 183.2 Å²; (13)Flash Point: 786.4 °C; (14)Enthalpy of Vaporization: 234.62 kJ/mol; (15)Boiling Point: 1376.7 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contacting with skin and if swallowed. It may cause harm to the unborn child. Avoid exposure - obtain special instructions before use.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)O.O=C1NCC(N)C(=O)NC(C(=O)NC(C(=O)NC(/C(=O)NC1C2N\C(=N/CC2)N)=C\NC(=O)N)CNC(=O)CC(N)CCCN)CO
2.InChI: InChI=1/C25H44N14O8.H2O4S/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;1-5(2,3)4/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);(H2,1,2,3,4)/b15-9-;
3.InChIKey: AJQVUIHGEOLMDY-SOCRLDLMBZ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intravenous	250mg/kg (250mg/kg)	Drugs in Japan Vol. -, Pg. 259, 1990.
mouse	LD50	subcutaneous	514mg/kg (514mg/kg)	Drugs in Japan Vol. 6, Pg. 175, 1982.
rat	LD50	intravenous	325mg/kg (325mg/kg)	Drugs in Japan Vol. -, Pg. 259, 1990.
rat	LD50	subcutaneous	1191mg/kg (1191mg/kg)	Drugs in Japan Vol. -, Pg. 259, 1990.