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经验公式(希尔记法):
C27H29IN2 · C2H2O4 · xH2O
化学文摘社编号:
分子量:
598.47 (anhydrous basis)
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.77
MDL number:
Form:
solid
Storage condition:
desiccated
产品名称
L-703,606 草酸盐 水合物, solid
form
solid
storage condition
desiccated
color
white
solubility
DMSO: >10 mg/mL, 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 11 mg/mL, H2O: slightly soluble <2 mg/mL
SMILES string
O.OC(=O)C(O)=O.Ic1ccccc1CN[C@@H]2C3CCN(CC3)[C@@H]2C(c4ccccc4)c5ccccc5
InChI
1S/C27H29IN2.C2H2O4.H2O/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21;3-1(4)2(5)6;/h1-14,22,25-27,29H,15-19H2;(H,3,4)(H,5,6);1H2/t26-,27-;;/m1../s1
InChI key
NJAUFRHNYIJKDW-AJUXDCMMSA-N
Gene Information
human ... TACR1(6869)
Biochem/physiol Actions
强效选择性非肽NK-1速激肽受体拮抗剂。
Disclaimer
吸湿
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)