143558-00-3
ROCURONIUM
Name
ROCURONIUM
Formula
C32 H53 N2 O4
MolWeight
529.781
1Identification
【Name】
ROCURONIUM
【CAS】
119302-91-9
;143558-00-3
【MDL】
MFCD07364046
【English Synonyms】
【Formula】
C32 H53 N2 O4
【MolWeight】
529.781
【Inchi】
InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1
【InChIKey】
InChIKey=YXRDKMPIGHSVRX-OOJCLDBCSA-N
【SMILES】
CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ROCURONIUM.cml
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Ark Pharm, Inc.
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