DOXYCYCLINE MONOHYDRATE

CAS No.
17086-28-1 ;564-25-0
CCD No.
CCD00330995
Formula
C22 H24 N2 O8 . H2 O
MolWeight
462.452

Basic Information

Product Name: DOXYCYCLINE MONOHYDRATE
CAS: 17086-28-1 ;564-25-0
English Synonyms: 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-2-NA HYDRATE ; DOXYCYCLINE ; DOXYCYCLINE HYDRATE ; 4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE HYDRATE ; DOXYCYCLINE MONOHYDRATE
MDL Number.: MFCD02682958
H bond acceptor: 10
H bond donor: 6
Smile: C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O.O
InChi: InChI=1S/C22H24N2O8.H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);1H2/t7-,10+,14+,15-,17-,22-;/m0./s1
InChiKey: InChIKey=XQTWDDCIUJNLTR-CVHRZJFOSA-N

Property

Melting Point: 167-168 DEG C
Comments: HAZARD: R 22
HAZARD: S 36-60
MERCK: 14,3440
TSCA: N
UNSPSC: 12000000

Safety information

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