CAS No.13803-65-1,ANHYDROTETRACYCLINE HYDROCHLORIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13803-65-1
Name:	ANHYDROTETRACYCLINE HYDROCHLORIDE

Formula:	C₂₂H₂₂N₂O₇.ClH
Molecular Weight:	462.887
Synonyms:	2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-,monohydrochloride (8CI);2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-,monohydrochloride, (4S,4aS,12aS)- (9CI);2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-,monohydrochloride, [4S-(4a,4aa,12aa)]-;
Melting Point:	223 °C
Boiling Point:	638.9 °C at 760 mmHg
Flash Point:	340.2 °C
Solubility:	5-10 g/100 mL at 20℃
Hazard Symbols:	Xn
Risk Codes:	63-36
Safety:	36/37/39-26
PSA:	161.39000
LogP:	1.95810

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Specification

The CAS registry number of 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-,hydrochloride is 13803-65-1. The systematic name is (2Z)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-11,12a-dihydroxy-6-methyl-4a,12a-dihydrotetracene-1,3,12(2H,4H,5H)-trione hydrochloride. In addition, the molecular formula is C₂₂H₂₂N₂O₇.ClH and the molecular weight is 446.88. What's more, it is a kind of yellow to bright yellow powder and should be stored in a cool and dry place.

Physical properties about 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-,hydrochloride are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 12.67; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 143.94; (8)ACD/KOC (pH 7.4): 4.4; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 85.38 Å²; (13)Flash Point: 340.2 °C; (14)Enthalpy of Vaporization: 99.16 kJ/mol; (15)Boiling Point: 638.9 °C at 760 mmHg; (16)Vapour Pressure: 3.37E-17 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes. And it may have risk of harm to the unborn child. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C3/C(=C(/O)N)C(=O)C4(O)C(=O)c2c(c(c1ccccc1c2O)C)CC4C3N(C)C
(2)InChI: InChI=1/C22H22N2O6.ClH/c1-9-10-6-4-5-7-11(10)17(25)14-12(9)8-13-16(24(2)3)18(26)15(21(23)29)20(28)22(13,30)19(14)27;/h4-7,13,16,25,29-30H,8,23H2,1-3H3;1H/b21-15-;
(3)InChIKey: FFZXKJVSZDKEMY-XGRJIHFXBC