CAS No.101043-37-2,MICROCYSTIN-LR Suppliers

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Basic Information

Molecular Structure:
CAS No.:	101043-37-2
Name:	MICROCYSTIN-LR
Article Data:	1

Formula:	C49H74 N10 O12
Molecular Weight:	995.186
Synonyms:	MicrocystinLA, 5-L-arginine-;Microcystin LR (9CI);Akerstox;Cyanoginosin LA, 5-L-arginine-;Cyanoginosin LR;Cyclo[2,3-didehydro-N-methylalanyl-D-alanyl-L-leucyl-erythro-3-methyl-D-b-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyl-3-aminodecanoyl-D-g-glutamyl];MCLR;MCYST-LR;ToxinI (Microcystis aeruginosa);Toxin T 17 (Microcystis aeruginosa);Microcystin-LR solution;
EINECS:	200-659-6
Density:	1.29g/cm³
Boiling Point:	°Cat760mmHg
Flash Point:	°C
Hazard Symbols:	A poison by ingestion and inhalation.
Risk Codes:	26/27/28-36/37/38-43
Safety:	A poison by ingestion, inhalation, intraperitoneal, and intravenous route. Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NO_x.
PSA:	340.64000
LogP:	3.92970

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Chemistry

Molecule structure of 5-L-Argininecyanoginosin LA (CAS NO.101043-37-2) :

IUPAC Name: (1R,2S,5S,8S,9S,12R,20R,23S)-5-[3-(diaminomethylideneamino)propyl]-8-[(1E,3E,5S,6S)-6-methoxy-3,
5-dimethyl-7-phenylhepta-1,3-dienyl]-2,9,16,20-tetramethyl-17-methylidene-23-(2-methylpropyl)-3,6,10,15,18,21,24-heptaoxo-4,7,11,16,19,22,25-heptazacyclopentacosane-1,12-dicarboxylic acid
Molecular Weight: 995.17166 g/mol
Molecular Formula: C₄₉H₇₄N₁₀O₁₂
Density: 1.29 g/cm³
Flash Point: 11 °C
Storage temp.: −20 °C
Ethanol Solubility: 1 mg/mL
Appreance: solid film
EINECS: 200-659-6
Molar Volume: 766 cm³
Polarizability: 103.61*10^-24 cm³
Surface Tension: 49.3 dyne/cm
XLogP3-AA: 2.3
H-Bond Donor: 10
H-Bond Acceptor: 15
Rotatable Bond Count: 15
Tautomer Count: 128
Exact Mass: 994.548768
MonoIsotopic Mass: 994.548768
Topological Polar Surface Area 343
Heavy Atom Count: 71
Complexity: 2000
Defined Atom StereoCenter Count: 10
Defined Bond StereoCenter Count: 2
Covalently-Bonded Unit Count: 1
Canonical SMILES: CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C
Isomeric SMILES: C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C
InChI: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
InChIKey: ZYZCGGRZINLQBL-GWRQVWKTSA-N

Toxicity Data With Reference

1.	orl-rat LD50:>5 mg/kg	HETOEA Human & Experimental Toxicology. 18 (1999),162.
2.	ipr-rat LD50:50 µg/kg	TOXIA6 Toxicon. 26 (1988),603.
3.	orl-mus LD50:5 mg/kg	HETOEA Human & Experimental Toxicology. 18 (1999),162.
4.	ihl-mus LC50:18 mg/m3/10 M	TOXIA6 Toxicon. 28 (1990),605.
5.	ipr-mus LD50:32500 ng/kg	JEPOEC Journal of Environmental Pathology, Toxicology and Oncology. 9 (3)(1989),221.
6.	ivn-mus LD50:60 µg/kg	SCIEAS Science. 220 (1983),1383.
7.	ipr-mus LD50:127 µg/kg	JAPTO* Journal of Applied Toxicology 22 (2002),13.
8.	ipr-mus TDLo:64 µg/kg	JAPTO* Journal of Applied Toxicology 22 (2002),13.

Safety Profile

A poison by ingestion, inhalation, intraperitoneal, and intravenous route. Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NO_x.
Hazard Codes: Very T+
Risk Statements: 26/27/28-36/37/38-43
R26/27/28: Very toxic by inhalation, in contact with skin and if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
R43: May cause sensitization by skin contact
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
RIDADR: UN 2811 6.1/PG 1
WGK Germany: 3
RTECS: GT2810000

Specification

5-L-Argininecyanoginosin LA (CAS NO.101043-37-2) is also called 5-L-Arginine-cyanoginosinl ; 5-L-Argininecyanoginosinla ; Akerstox ; Microcystin-a ; Microcystisaeruginosatoxin ; Toxini(microcystisaeruginosa) . 5-L-Argininecyanoginosin LA (CAS NO.101043-37-2) is high toxic. It is flammable. It will decomposit toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep 5-L-Argininecyanoginosin LA (CAS NO.101043-37-2) separate from raw materials of food.