L3040
L-765,314 hydrate
≥98% (HPLC), solid
Synonym(s):
(2S)-4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-2-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperazinecarboxylic acid, phenylmethyl ester hydrate
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About This Item
InChI
1S/C27H34N6O5.H2O/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25;/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30);1H2/t20-;/m0./s1
SMILES string
O.COc1cc2nc(nc(N)c2cc1OC)N3CCN([C@@H](C3)C(=O)NC(C)(C)C)C(=O)OCc4ccccc4
InChI key
KQHMFDHSRXAELV-BDQAORGHSA-N
assay
≥98% (HPLC)
form
solid
solubility
DMSO: 14 mg/mL
originator
Merck & Co., Inc., Kenilworth, NJ, U.S.
Gene Information
human ... ADRA1A(148), ADRA1B(147), ADRA1D(146)
rat ... Adra1a(29412), Adra1b(24173), Adra1d(29413)
Biochem/physiol Actions
Features and Benefits
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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