Butanedioic acid, 1-[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester, mixt. with 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]phenol
CAS Registry Number®
944945-14-6
CAS Name
Butanedioic acid, 1-[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester, mixt. with 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]phenolMolecular Formula
C20H22ClN3O.C19H28O8Cite this Page
Butanedioic acid, 1-[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester, mixt. with 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]phenol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=944945-14-6 (retrieved ) (CAS RN: 944945-14-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H22ClN3O.C19H28O8/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t;10-,11-,12+,13+,16-,17-,18-,19-/m.1/s1
InChIKey
InChIKey=FNDVKMABQZJHKI-GMDKYCAISA-N
SMILES
C[C@@H]1[C@]2([C@]34[C@](O[C@H]1OC(CCC(O)=O)=O)(O[C@](C)(OO3)CC[C@]4([C@H](C)CC2)[H])[H])[H].N(C=1C2=C(C=C(Cl)C=C2)N=CC1)C3=CC(CN(CC)CC)=C(O)C=C3
Canonical SMILES
O=C(O)CCC(=O)OC1OC2OC3(OOC24C(CC3)C(C)CCC4C1C)C.ClC=1C=CC=2C(=NC=CC2NC3=CC=C(O)C(=C3)CN(CC)CC)C1
Other Names for this Substance
- Butanedioic acid, 1-[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester, mixt. with 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]phenol
- Arsucame
- Trimalact
- Coarsucam
- Winthrop
