CAS No.143558-00-3,rocuronium Suppliers

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Basic Information

Molecular Structure:
CAS No.:	143558-00-3
Name:	rocuronium

Formula:	C₃₂H₅₃N₂O₄
Molecular Weight:	529.78
Synonyms:	Rocuronium;
PSA:	59.00000
LogP:	4.30420

Total:14 Page 1 of 1 1

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Specification

This chemical is called Rocuronium, and its systematic name is (2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-(morpholin-4-yl)-16-[1-(prop-2-en-1-yl)pyrrolidinium-1-yl]androstane. With the molecular formula of C₃₂H₅₃N₂O₄, its CAS registry number is 143558-00-3. Additionally, its classification codes are Neuromuscular Agents; Neuromuscular Blocking Agents; Neuromuscular; Nondepolarizing Agents; Peripheral Nervous System Agents.

Other characteristics of the Rocuronium can be summarised as followings: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 48 Å².

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O[C@H]6[C@@H]([N+]1(C\C=C)CCCC1)C[C@@H]5[C@]6(C)CC[C@H]3[C@H]5CC[C@H]4C[C@H](O)[C@@H](N2CCOCC2)C[C@]34C)C
2.InChI: InChI=1/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
3.InChIKey: YXRDKMPIGHSVRX-OOJCLDBCBA