Doxycycline hyclate
CAS Registry Number®
24390-14-5
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CAS Name
Doxycycline hyclateMolecular Formula
C22H24N2O8.1/2C2H6O.ClH.1/2H2OCite this Page
Doxycycline hyclate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?ref=24390-14-5 (retrieved ) (CAS RN: 24390-14-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H24N2O8.C2H6O.ClH.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;1-2-3;;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);3H,2H2,1H3;1H;1H2/t7-,10+,14+,15-,17-,22-;;;/m0.../s1
InChIKey
InChIKey=JRNIHERUNQWMMW-WBYAVNBMSA-N
SMILES
O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)([C@@H](O)[C@]3(C(=C2O)C(=O)C=4C([C@@H]3C)=CC=CC4O)[H])[H].Cl.C(C)O.O
Canonical SMILES
Cl.O=C(N)C=1C(=O)C2(O)C(O)=C3C(=O)C=4C(O)=CC=CC4C(C)C3C(O)C2C(C1O)N(C)C.O.OCC
Other Names for this Substance
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride, (4S,4aR,5S,5aR,6R,12aS)-, compd. with ethanol, hydrate (2:2:1:1)
- 2-Naphthacenecarboxamide, 4β-(dimethylamino)-1,4,4aβ,5,5aβ,6,11,12a-octahydro-3,5β,10,12,12aβ-pentahydroxy-6β-methyl-1,11-dioxo-, monohydrochloride, compd. with ethyl alc. (2:1), monohydrate
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4S-(4α,4aα,5α,5aα,6α,12aα)]-, compd. with ethanol (2:1), monohydrate
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6R,12aS)-, compd. with ethanol (2:1), monohydrate
- Ethanol, compd. with [4S-(4α,4aα,5α,5aα,6α,12aα)]-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride (1:2), monohydrate
Deleted or Replaced CAS Registry Numbers
62149-53-5, 1258072-64-8
