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61036-64-4

Basic Information
CAS No.: 61036-64-4
Name: Teicoplanin A2
Molecular Structure:
Molecular Structure of 61036-64-4 (Teicoplanin A2)
Formula: C78H77Cl2N8O32R
Molecular Weight: 1709.39
Synonyms: Teicoplanin A 2 (9CI);Teichomycin A2;
Melting Point: 260 ºC
Solubility: Soluble in DMF, dimethylsulfoxide and aqueous solution with pH of 7.0, partly soluble in methanol or ethanol, insoluble in dilute inorganic acid and the polar organic solvents
Appearance: Amorphous powder
PSA: 671.64000
LogP: 4.28220
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    Teicoplanin A2 Molecular Formula C78H78Cl2N9O32R CAS Registry Number 61036-64-4 Teicoplanin A2 IdentificationNameTeicoplanin A2…

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Specification

The Teicoplanin A2, with the CAS registry number 61036-64-4, is also known as Teichomycin A2. This chemical's molecular formula is C78H78Cl2N9O32R. Its classification codes are: (1)Drug / Therapeutic Agent; (2)Natural Product. It is evaluated in vitro against clinical isolates, and its activity is compared with that of other antibiotics. This compound is very active against all organisms tested; its activity is comparable to that of vancomycin, and it is superior to several other antibiotics when tested against gram-positive cocci. Because of its in vitro activity, it deserves clinical evaluation. It is well tolerated and less toxic, non-destructive on renal function and has good effect on a variety of infections caused by Gram-positive bacteria. It can be derived from glycopeptide antibiotics produced by Actinplans teichomycetics nov.sp.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C90H99Cl2N9O34/c1-5-6-7-8-9-10-11-12-60(110)95-69-76(116)73(113)58(32-103)132-89(69)135-80-55-27-41-28-56(80)128-51-20-16-39(23-46(51)92)79(134-88-68(94-35(3)105)75(115)72(112)57(31-102)131-88)70-86(124)99-66(87(125)126-4)44-29-42(106)30-54(130-90-78(118)77(117)74(114)59(33-104)133-90)61(44)43-21-37(14-17-47(43)107)63(82(120)101-70)96-84(122)65(41)97-83(121)64-40-24-49(109)34(2)52(26-40)129-53-25-36(13-18-48(53)108)62(93)81(119)100-67(85(123)98-64)71(111)38-15-19-50(127-55)45(91)22-38/h9-10,13-30,57-59,62-79,88-90,102-104,106-109,111-118H,5-8,11-12,31-33,93H2,1-4H3,(H,94,105)(H,95,110)(H,96,122)(H,97,121)(H,98,123)(H,99,124)(H,100,119)(H,101,120)/b10-9+
(2)Smiles: CCCCC\C=C\CCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1c2Oc3ccc(cc3Cl)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3NC(C)=O)[C@@H]3NC(=O)[C@@H](NC(=O)[C@@H]4NC(=O)[C@@H]5NC(=O)[C@@H](NC(=O)[C@@H](N)c6cc(c(O)cc6)Oc6c(C)c(cc5c6)O)[C@@H](O)c5ccc(Oc1cc4c2)c(c5)Cl)c1ccc(O)c(c1)c1c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(O)cc1[C@@H](NC3=O)C(=O)OC

The toxicity data is as follows: 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 31, Pg. 276, 1978.
mouse LD50 intravenous 275mg/kg (275mg/kg)   Journal of Antibiotics. Vol. 31, Pg. 276, 1978.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 31, Pg. 276, 1978.
mouse LD50 subcutaneous 2860mg/kg (2860mg/kg)   "Current Chemotherapy and Immunotherapy, Proceedings of the International Congress of Chemotherapy, 12th, 1981," Periti, P., and G. Gialdroni-Grassi, eds., 2 vols., Washington, DC American Soc. for Microbiology, 1982Vol. 12, Pg. 342, 1982.