2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-,hydrochloride (1:1), (4S,4aS,5aS,6S,12aS)-

The Demeclocycline hydrochloride, with the CAS registry number 64-73-3, is also known as Demethylchlortetracycline hydrochloride. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS registry number is 200-592-2. This chemical's molecular formula is C₂₁H₂₂Cl₂N₂O₈ and molecular weight is 501.31398. Its IUPAC name is called (2Z,4S,4αS,5αS,6S,12αS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12α-tetrahydroxy-4α,5,5α,6-tetrahydro-4H-tetracene-1,3,12-trione hydrochloride. This chemical's classification codes are Antibacterial; Drug / Therapeutic Agent; Human Data; Reproductive Effect. Demeclocycline hydrochloride is an antibiotic related to tetracycline and produced by streptomyces aureofaciens. Because it is excreted more slowly than tetracycline, it maintains effective blood levels for longer periods of time.

Physical properties of Demeclocycline hydrochloride: (1)# of Rule of 5 Violations: 3; (2)ACD/LogD (pH 5.5): -4; (3)ACD/LogD (pH 7.4): -4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 10; (9)#H bond donors: 7; (10)#Freely Rotating Bonds: 7; (11)Flash Point: 435.2 °C; (12)Enthalpy of Vaporization: 121.39 kJ/mol; (13)Boiling Point: 795.9 °C at 760 mmHg; (14)Vapour Pressure: 1.02E-26 mmHg at 25°C.

When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. It may cause sensitisation by skin contact. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CN(C)[C@@H]1C(\O)=C(\C(N)=O)C(=O)[C@@]2(O)C(/O)=C3/C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12
(2)InChI: InChI=1/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m0./s1
(3)InChIKey: GVSJQNRGSCOSNJ-KBHRXELFBM

The toxicity data is as follows: