MICROCYSTIN-RR

CAS No.
111755-37-4
CCD No.
CCD00178307
Formula
C49 H75 N13 O12
MolWeight
1038.21

Basic Information

Product Name: MICROCYSTIN-RR
CAS: 111755-37-4
English Synonyms: MICROCYSTIN-RR ; MCYST-RR ; MICROCYSTIN-RR, MICROCYSTIS AERUGINOSA
MDL Number.: MFCD00871765
H bond acceptor: 25
H bond donor: 14
Smile: 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)CCCNC(=N)N)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@H](C)[C@H](Cc2ccccc2)OC)/C
InChi: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
InChiKey: InChIKey=JIGDOBKZMULDHS-UUHBQKJESA-N

Property

Physical Property: FLASHPOINT: 11 DEG C
FLASHPOINT: 51.8 DEG F
Comments: CONCENTRATION: 10 MICROGRAM/ML IN METHANOL
FOR ENVIRONMENTAL ANALYSIS
FORM: SOLUTION
RIDADR: UN 1230 3/PG 2
STORAGE TEMPERATURE: -20 DEG C
UNSPSC: 12352100
WGK: 3
Specification: ANALYTICAL STANDARD
Concentration: 10 MICROGRAM/ML IN METHANOL

Safety information

Symbol: GHS06 GHS06
Signal word: Danger
Hazard statements: H300-H310-H315-H317-H319-H330-H335
Precautionary statements: P260-P264-P280-P284-P301 + P310-P302 + P350
hazard symbol: T+
Risk Code: R:26/27/28-36/37/38-43
Safe Code: S:26-36/37/39-45
WGK Germany: 3

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