54063-54-6
REPROTEROL
Name
REPROTEROL
Formula
C18 H23 N5 O5
MolWeight
389.41
1Identification
【Name】
REPROTEROL
【CAS】
【MDL】
MFCD00867032
【English Synonyms】
【Formula】
C18 H23 N5 O5
【MolWeight】
389.41
【Inchi】
InChI=1S/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3
【InChIKey】
InChIKey=WVLAAKXASPCBGT-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCNCC(c3cc(cc(c3)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
REPROTEROL.cml
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