DOCETAXEL TRIHYDRATE

CAS No.
114977-28-5 ;148408-66-6
CCD No.
CCD00379392
Formula
C43 H53 N O14 . 3 H2 O
MolWeight
861.929

Basic Information

Product Name: DOCETAXEL TRIHYDRATE
CAS: 114977-28-5 ;148408-66-6
English Synonyms: DOCETAXEL(TAXOTERE)/UK 427857 ; DOCETAXEL ; DOCETAXEL TRIHYDRATE ; DOCETAXEL (TRIHYDRATE)
MDL Number.: MFCD03414188
H bond acceptor: 15
H bond donor: 5
Smile: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O.O.O.O
InChi: InChI=1S/C43H53NO14.3H2O/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45;;;/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43-;;;/m0.../s1
InChiKey: InChIKey=XCDIRYDKECHIPE-IYNZIZMXSA-N

Property

Comments: GENERAL DESCRIPTION: THIS PRODUCT IS PROVIDED AS DELIVERED AND SPECIFIED BY THE ISSUING PHARMACOPOEIA. ALL INFORMATION PROVIDED IN SUPPORT OF THIS PRODUCT, INCLUDING MSDS AND ANY PRODUCT INFORMATION LEAFLETS HAVE BEEN DEVELOPED AND ISSUED UNDER THE AUTHORITY OF THE ISSUING PHARMACOPOEIA. FOR FURTHER INFORMATION AND SUPPORT PLEASE GO TO THE WEBSITE OF THE ISSUING PHARMACOPOEIA
OTHER NOTES: SALES RESTRICTIONS MAY APPLY

Safety information

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