CAS No.81608-30-2,NEUROMEDIN C Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	81608-30-2
Name:	NEUROMEDIN C

Formula:	C₅₀H₇₃N₁₇O₁₁S
Molecular Weight:	1120.29
Synonyms:	Bombesin,1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-arginine-4-de-L-leucine-7-L-histidine-;94: PN: US20060293232 PAGE: 15 unclaimed sequence;Bombesin-likeimmunoreactivity II (dog intestine);Canine gastrin-releasing peptide 10;H-Gly-Asn-His-Trp-Ala-Val-Gly-His-Leu-Met-NH2;L-Methioninamide,glycyl-L-asparaginyl-L-histidyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-leucyl-;Neuromedin C;Neuromedin C (pig spinal cord);Pig neuromedin C;Porcineneuromedin C;
Density:	1.338 g/cm³
Boiling Point:	1730.4 °C at 760 mmHg
Flash Point:	1000.3 °C
PSA:	472.55000
LogP:	2.05010

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Specification

The Neuromedin C (swinespinal cord) (9CI), with the CAS registry number 81608-30-2, belongs to the following product categories: Neuromedins and related; Peptide. And the molecular formula of the chemical is C₅₀H₇₃N₁₇O₁₁S. What's more, it should be stored at -15°C.

The characteristics of Neuromedin C (swinespinal cord) (9CI) are as followings: (1)ACD/LogP: -1.62; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -5.94; (4)ACD/LogD (pH 7.4): -2.09; (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): 1.05; (9)#H bond acceptors: 28; (10)#H bond donors: 18; (11)#Freely Rotating Bonds: 34; (12)Polar Surface Area: 292.52 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 290.48 cm³; (15)Molar Volume: 836.8 cm³; (16)Polarizability: 115.15×10^-24cm³; (17)Surface Tension: 64.4 dyne/cm; (18)Density: 1.338 g/cm³; (19)Flash Point: 1000.3 °C; (20)Enthalpy of Vaporization: 278.49 kJ/mol; (21)Boiling Point: 1730.4 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CC(=O)N)Cc1cncn1)Cc3c2ccccc2nc3)C)C(C)C)Cc4cncn4)CC(C)C)CCSC
(2)InChI: InChI=1/C50H73N17O11S/c1-25(2)13-34(46(74)63-33(43(53)71)11-12-79-6)64-47(75)36(15-29-20-54-23-58-29)62-41(70)22-57-50(78)42(26(3)4)67-44(72)27(5)60-45(73)35(14-28-19-56-32-10-8-7-9-31(28)32)65-48(76)37(16-30-21-55-24-59-30)66-49(77)38(17-39(52)68)61-40(69)18-51/h7-10,19-21,23-27,33-38,42,56H,11-18,22,51H2,1-6H3,(H2,52,68)(H2,53,71)(H,54,58)(H,55,59)(H,57,78)(H,60,73)(H,61,69)(H,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)/t27-,33-,34-,35-,36-,37-,38-,42-/m0/s1
(3)InChIKey: RWBLWXCGQLZKLK-USVTTYPOBZ