53-18-9
BIETASERPINE
Name
BIETASERPINE
Formula
C39 H53 N3 O9
MolWeight
707.86
1Identification
【Name】
BIETASERPINE
【CAS】
【MDL】
MFCD00242906
【English Synonyms】
【Formula】
C39 H53 N3 O9
【MolWeight】
707.86
【Inchi】
InChI=1S/C39H53N3O9/c1-9-40(10-2)15-16-42-29-20-25(45-3)11-12-26(29)27-13-14-41-22-24-19-33(37(49-7)34(39(44)50-8)28(24)21-30(41)35(27)42)51-38(43)23-17-31(46-4)36(48-6)32(18-23)47-5/h11-12,17-18,20,24,28,30,33-34,37H,9-10,13-16,19,21-22H2,1-8H3/t24-,28+,30-,33-,34+,37+/m1/s1
【InChIKey】
InChIKey=WFTSRDISOMSAQC-ZNFOTRSXSA-N
【SMILES】
CCN(CC)CCn1c2cc(ccc2c3c1[C@H]4C[C@H]5[C@H](C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC)CN4CC3)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:12
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BIETASERPINE.cml
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