InChI=1S/C23H32Cl2NO6P.2Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t18-,19-,20+,21+,23+;;/m1../s1

【InChIKey】

InChIKey=IIUMCNJTGSMNRO-VVSKJQCTSA-L

【SMILES】

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-])OC(=O)N(CCCl)CCCl.[Na+].[Na+]

【MOL File】

ESTRAMUSTINE PHOSPHA….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:0

H bond acceptor:7

XLogP3:5.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

【hazard symbol】

【Risk Code】

【Safe Code】

【WGK Germany】

4CML File

ESTRAMUSTINE PHOSPHATE SODIUM.cml

Quick Release

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52205-73-9 ESTRAMUSTINE PHOSPHATE SODIUM

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】