BETAMETHASONE ACETATE PHOSPHATE

CAS No.
52081-45-5
CCD No.
CCD08092420
Formula
C24 H31 F O6 . C22 H28 F O8 P . 2 Na
MolWeight
950.908

Basic Information

Product Name: BETAMETHASONE ACETATE PHOSPHATE
CAS: 52081-45-5
English Synonyms: BETAMETHASONE ACETATE PHOSPHATE
MDL Number.: MFCD01748947
H bond acceptor: 8
H bond donor: 2
Smile: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C.C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
InChi: InChI=1S/C24H31FO6.C22H30FO8P.2Na/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26;1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3;6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;;2*+1/p-2/t13-,17-,18-,19-,21-,22-,23-,24-;12-,15-,16-,17-,19-,20-,21-,22-;;/m00../s1
InChiKey: InChIKey=ZFRADBFYPXONSV-DZYVXUBISA-L

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