| Name： | MONOCROTALINE |
| CAS： | 315-22-0 |
| Synonyms： | MONCROTALINE ; PYRROLIZIDINE ALKALOID ; (4AR,7R,8R,9R,12BR)-8,9-DIHYDROXY-7,8,9-TRIMETHYL-2,3,4,4A,8,9,12,12B-OCTAHYDRO-7H-5,11-DIOXA-2A-AZA-CYCLOUNDECA[CD]PENTALENE-6,10-DIONE ; (13ALPHA,14ALPHA)-14,19-DIHYDRO-12,13-DIHYDROXY-20-NORCROTOLANAN-11,15-DIONE ; CROTALINE ; MONOCROTALINE ; CROTALIN ; MONOCROTALIN |
| MDL.： | MFCD00084656 |
| H bond acceptor： | 7 |
| H bond donor： | 2 |
| Smile： | C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O |
| InChi： | InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1 |
| InChiKey： | InChIKey=QVCMHGGNRFRMAD-XFGHUUIASA-N |
Property |
|
| Melting Point： | 204 DEG C (DEC)(LIT)/204 °C/204 °C |
| Comments： | RECONSTITUTION: DRIED DOWN, 100 MICROGRAM/ML AFTER RECONSTITUTION WITH 1 ML OF WATER RTECS: QB3140000 STORAGE TEMPERATURE: -20 DEG C WGK: 3 |
| Specification： | ANALYTICAL STANDARD |
Safety information |
|
| Symbol： |
GHS06
GHS08
|
| Signal word： | Danger |
| Hazard statements： | H301-H351 |
| Precautionary statements： | P281-P301 + P310 |
| hazard symbol： | T |
| Risk Code： | R:25-40 |
| Safe Code： | S:36/37/39-45 |
| UN Code： | 1544 |
| WGK Germany： | 3 |
MONOCROTALINE
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