Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-, compd. with 3-(2,3-dihydroxypropyl)-2-methyl-4(3H)-quinazolinone (1:1)
CAS Registry Number®
63768-21-8
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CAS Name
Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-, compd. with 3-(2,3-dihydroxypropyl)-2-methyl-4(3H)-quinazolinone (1:1)Molecular Formula
C12H14N2O3.C10H16O4SCite this Page
Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-, compd. with 3-(2,3-dihydroxypropyl)-2-methyl-4(3H)-quinazolinone (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=63768-21-8 (retrieved ) (CAS RN: 63768-21-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C12H14N2O3.C10H16O4S/c1-8-13-11-5-3-2-4-10(11)12(17)14(8)6-9(16)7-15;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-5,9,15-16H,6-7H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t;7-,10-/m.1/s1
InChIKey
InChIKey=AJNMCFBQWSXQHS-STOWLHSFSA-N
SMILES
O=C1C=2C(N=C(C)N1CC(CO)O)=CC=CC2.C(S(=O)(=O)O)[C@@]12C(C)(C)[C@@](CC1=O)(CC2)[H]
Canonical SMILES
O=C1C=2C=CC=CC2N=C(N1CC(O)CO)C.O=C1CC2CCC1(CS(=O)(=O)O)C2(C)C
Other Names for this Substance
- Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-, compd. with 3-(2,3-dihydroxypropyl)-2-methyl-4(3H)-quinazolinone (1:1)
- 4(3H)-Quinazolinone, 3-(2,3-dihydroxypropyl)-2-methyl-, mono[(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate] (salt)
