(2R,3aR,10Z,11aS,12aR,14aR)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-Tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxylic acid
CAS Registry Number®
923604-58-4
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CAS Name
(2R,3aR,10Z,11aS,12aR,14aR)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-Tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxylic acidMolecular Formula
C35H42N4O6SMolecular Mass
646.80Cite this Page
(2R,3aR,10Z,11aS,12aR,14aR)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-Tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxylic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=923604-58-4 (retrieved ) (CAS RN: 923604-58-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
239-239.7 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C35H42N4O6S/c1-19(2)27-18-46-32(37-27)26-16-29(23-11-12-28(44-5)20(3)30(23)36-26)45-22-14-24-25(15-22)33(41)39(4)13-9-7-6-8-10-21-17-35(21,34(42)43)38-31(24)40/h8,10-12,16,18-19,21-22,24-25H,6-7,9,13-15,17H2,1-5H3,(H,38,40)(H,42,43)/b10-8+/t21-,22-,24-,25-,35-/m1/s1
InChIKey
InChIKey=XQOBFRSIHBMNMC-ASIIYFNZSA-N
SMILES
C(O)(=O)[C@]12[C@@](C1)(/C=C/CCCCN(C)C(=O)[C@]3([C@](C(=O)N2)(C[C@@H](OC=4C5=C(N=C(C4)C6=NC(C(C)C)=CS6)C(C)=C(OC)C=C5)C3)[H])[H])[H]
Canonical SMILES
O=C(O)C12NC(=O)C3CC(OC4=CC(=NC=5C4=CC=C(OC)C5C)C6=NC(=CS6)C(C)C)CC3C(=O)N(C)CCCCC=CC2C1
Other Names for this Substance
- Cyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxylic acid, 2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxo-, (2R,3aR,10Z,11aS,12aR,14aR)-
- (2R,3aR,10Z,11aS,12aR,14aR)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-Tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxylic acid