CAS No.56377-79-8,Nosiheptide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56377-79-8
Name:	Nosiheptide

Formula:	C₅₁H₄₃N₁₃O₁₂S₆
Molecular Weight:	1222.36
Synonyms:	Nosiheptide;30,32-Imino-8,5:18,15:40,37-trinitrilo-21,36-([2,4]-endo-thiazolomethanimino)-5H,15H,37H-pyrido[3,2-w][2,11,21,27,31,7,14,17]benzoxatetrathiatriazacyclohexatriacontine,nosiheptide deriv.;Multhiomycin;Multiomycin;NSC 307240;Primofax;RP 9671;[11S-[11R(S),14Z,21R,23R,29R*]]-N-[1-(aminocarbonyl)ethenyl]-2-[14-ethylidene-9,10,11,12,13,14,19,20,21,22,23,24,26,33,35,36-hexadecahydro-3,23-dihydroxy-11-(1-hydroxyethyl)-31-methyl-9,12,19,24,33,43-hexaoxo-30,32-imino-8,5:18,15:40,37-trinitrilo-21,36-([2,4]-endo-thiazolomethanimino)-5H,15H,37H-pyrido[3,2-w][2,11,21,27,31,7,14,17]benzoxatetrathiatriazacyclohexatriacontin-2-yl]-4-thiazolecarboxamide;
EINECS:	260-138-4
Density:	1.534 g/cm³
Melting Point:	310-320° (dec)
PSA:	552.28000
LogP:	7.28900

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Specification

The Nosiheptide, with the CAS registry number 56377-79-8, is also known as N-[1-(Aminocarbonyl)ethenyl]-2-[(11S,14Z,21S,23S,29S)-14-ethylidene-9,10,11,12,13,14,19,20,21,22,23,24,26,33,35,36-hexadecahydro-3,23-dihydroxy-11-[(1R)-1-hydroxyethyl]-31-methyl-9,12,19,24,33,43-hexaoxo-30,32-imino-8,5:18,15:40,37-trinitrilo-21,36-([2,4]-endo-thiazolomethanimino)-5H,15H,37H-pyrido[3,2-w][2,11,21,27,31,7,14,17]benzoxatetrathiatriazacyclohexatriacontin-2-yl]-4-thiazolecarboxamide. Its EINECS registry number is 260-138-4. This chemical's molecular formula is C₅₁H₄₃N₁₃O₁₂S₆ and molecular weight is 1222.36. Its systematic name is called N-(1-carbamoylethenyl)-2-[(21Z)-21-ethylidene-9,30-dihydroxy-18-(1-hydroxyethyl)-40-methyl-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53,54,55-decaazanonacyclo[26.16. 6.12,5.112,15.122,25.138,41.147,50.06,11.034,39]pentapentaconta-2(55),4,6,8,10,12(54),14,22(53),24,34,36,38,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide (non-preferred name). This chemical's classification codes are Drug / Therapeutic Agent; Growth stimulant [veterinary]; Natural Product.

Physical properties of Nosiheptide: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 3; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.59; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 25; (8)#H bond donors: 11; (9)#Freely Rotating Bonds: 8; (10)Index of Refraction: 1.698; (11)Molar Refractivity: 307.41 cm³; (12)Molar Volume: 796.6 cm³; (13)Surface Tension: 75.7 dyne/cm; (14)Density: 1.534 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(=O)C(=C)NC(=O)c1nc(sc1)c2nc%10c(cc2O)c3nc(cs3)C(=O)NC(C(C)O)C(=O)N/C(=C\C)c4scc(n4)C(=O)NC8CC(O)C(=O)OCc5cccc6nc(c(C)c56)C(=O)SCC(NC(=O)c7nc8sc7)c9nc%10cs9
(2)InChI: InChI=1/C51H43N13O12S6/c1-5-23-46-60-28(14-79-46)41(70)56-25-10-33(67)50(74)76-11-21-7-6-8-24-34(21)18(2)35(54-24)51(75)82-17-31(57-42(71)29-15-80-47(25)61-29)48-58-26(12-78-48)37-22(45-59-30(13-77-45)43(72)64-36(20(4)65)44(73)55-23)9-32(66)38(63-37)49-62-27(16-81-49)40(69)53-19(3)39(52)68/h5-9,12-16,20,25,31,33,36,54,65-67H,3,10-11,17H2,1-2,4H3,(H2,52,68)(H,53,69)(H,55,73)(H,56,70)(H,57,71)(H,64,72)/b23-5-
(3)InChIKey: OQAOHXRUMXWDLQ-FPQMYIDKBN

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intravenous	> 10mg/kg (10mg/kg)		Journal of Antibiotics. Vol. 23, Pg. 231, 1970.