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

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), tetrahydrate

Molecular Formula

C14H24N2O7.H2O4S.4H2O

Cite 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 2024-11-22) (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

CAS INSIGHTSTM
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