| Identification | Back Directory | [Name]
benzomalvin C | [CAS]
157047-98-8 | [Synonyms]
benzomalvin C
Benzomalvin-C >=95% (LC/MS-ELSD)
Spiro[oxirane-2,7'(13'H)-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'(6'H)-dione, 6'-methyl-3-phenyl-, (2R,3S)-rel-(+)- (9CI) | [Molecular Formula]
C24H17N3O3 | [MDL Number]
MFCD24849298 | [MOL File]
157047-98-8.mol | [Molecular Weight]
395.41 |
| Chemical Properties | Back Directory | [Boiling point ]
646.2±65.0 °C(Predicted) | [density ]
1.41±0.1 g/cm3(Predicted) | [storage temp. ]
-20°C | [solubility ]
DMF: soluble; DMSO: soluble; Ethanol: soluble; Methanol: soluble | [form ]
A solid | [pka]
-0.93±0.40(Predicted) | [Major Application]
metabolomics
vitamins, nutraceuticals, and natural products | [InChI]
1S/C24H17N3O3/c1-26-21(28)17-12-6-8-14-19(17)27-22(29)16-11-5-7-13-18(16)25-23(27)24(26)20(30-24)15-9-3-2-4-10-15/h2-14,20H,1H3/t20-,24-/m0/s1 | [InChIKey]
TWDKBDSVUUKABK-RDPSFJRHSA-N | [SMILES]
CN1C(=O)c2ccccc2N3C(=O)c4ccccc4N=C3[C@]15O[C@H]5c6ccccc6 |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS06,GHS09 | [Signal word ]
Danger | [Hazard statements ]
H301-H410 | [Precautionary statements ]
P273-P301+P310-P501 | [Hazard Codes ]
T,N | [Risk Statements ]
25-50 | [Safety Statements ]
45-61 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1 |
|
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Energy Chemical
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Merck KGaA
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BOC Sciences
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www.bocsci.com |
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