4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2R-(2α,4aβ,5aβ,6β,7β,8β,9α,9aα,10aβ)]-, sulfate (1:1) (salt), tetrahydrate
CAS Registry Number®
64058-48-6
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CAS Name
4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2R-(2α,4aβ,5aβ,6β,7β,8β,9α,9aα,10aβ)]-, sulfate (1:1) (salt), tetrahydrateMolecular Formula
C14H24N2O7.H2O4S.4H2OCite this Page
4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2R-(2α,4aβ,5aβ,6β,7β,8β,9α,9aα,10aβ)]-, sulfate (1:1) (salt), tetrahydrate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=64058-48-6 (retrieved ) (CAS RN: 64058-48-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C14H24N2O7.H2O4S.H2O/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;1-5(2,3)4;/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4);1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;/m1../s1
InChIKey
InChIKey=XPEBEPHQVRGNCX-XYQGXRRISA-N
SMILES
S(=O)(=O)(O)O.N(C)[C@@H]1[C@@]2([C@](O[C@]3([C@@](O)(O2)C(=O)C[C@@H](C)O3)[H])([C@@H](O)[C@H](NC)[C@@H]1O)[H])[H].O
Canonical SMILES
O=C1CC(OC2OC3C(O)C(NC)C(O)C(NC)C3OC12O)C.O=S(=O)(O)O.O
Other Names for this Substance
- 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2R-(2α,4aβ,5aβ,6β,7β,8β,9α,9aα,10aβ)]-, sulfate (1:1) (salt), tetrahydrate
Deleted or Replaced CAS Registry Numbers
1036863-01-0
