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107452-89-1

Basic Information
CAS No.: 107452-89-1
Name: Ziconotide acetate
Molecular Structure:
Molecular Structure of 107452-89-1 (Ziconotide acetate)
Formula: C102H172N36O32S7
Molecular Weight: 2639.13
Synonyms: SNX 111;Ziconotide;w-Conopeptide MVIIA (Conus);w-Conotoxin M VIIA (9CI);
EINECS: N/A
Density: 1.60±0.1 g/cm3(Predicted)
Melting Point: N/A
Boiling Point: N/A
Flash Point: N/A
Solubility: N/A
Appearance: white powder
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: UN 3172
PSA: 1310.94000
LogP: -1.73800
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    Product name: Ziconotide Acetate CAS No.: 107452-89-1 Molecule Formula:C102H172N36O32S7 Molecule Weight:2639.13 Purity: 98.0% Package: 1g/bottle Description:White powder Manufacture Standards:Enterprise Standard TE

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Specification

This product is the synthetic form of an ω-conotoxin peptide with the formula C102H172N36O32S7. The systematic name of this chemical is omega-Conotoxin M VIIA. With the CAS registry number 107452-89-1, it is also named as Ziconotide. The classification codes are Analgesic; Analgesics; Analgesics, Non-Narcotic; Calcium channel blockers; Cardiovascular Agents; Central Nervous System Agents; Membrane Transport Modulators; Neuroprotective agents; Peripheral Nervous; System Agents; Protective Agents; Sensory System Agents; Treatment of and brain ischemia. What's more, it is highly toxic and flammable. When buring it will produce toxic fluoride and sulfur oxide. So the storage environment should be well-ventilated, low-temperature and dry. Keep omega-Conotoxin M VIIA (9CI) separate from raw materials of food.

The other characteristics of omega-Conotoxin M VIIA (9CI) can be summarized as: (1)XLogP3-AA -14; (2)H-Bond Donor: 42; (3)H-Bond Acceptor: 39; (4)Rotatable Bond Count: 40; (5)Tautomer Count: 1001; (6)Exact Mass: 2638.101687; (7)MonoIsotopic Mass: 2637.098332; (8)Topological Polar Surface Area: 1310; (9)Heavy Atom Count: 177; (10)Formal Charge: 0; (11)Complexity: 5480; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 22; (15)Covalently-Bonded Unit Count: 1.

Uses of omega-Conotoxin M VIIA (9CI): It is a non-opioid and non-NSAID analgesic agent used for the amelioration of severe and chronic pain. The most common side effects are dizziness, nausea, confusion, and headache.

People can use the following data to convert to the molecule structure.
1. SMILES:CC1C(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CCCCN)CCCCN)N)C(=O)NC(C(=O)NCC(=O)NC(C(=O)N3)CO)C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CCCNC(=N)N)CC(C)C)CCSC)Cc4ccc(cc4)O)CC(=O)O)C(=O)N)CCCCN)CO)CCCNC(=N)N)CCCCN
2. InChI:InChI=1/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)
3. InChIKey:BPKIMPVREBSLAJ-UHFFFAOYAL

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