(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 acid

Molecular Formula

C35H42N4O6S

Molecular Mass

646.80

Cite 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 2024-07-03) (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