ChemSpider 2D Image | RY7535000 | C37H44ClNO6

RY7535000

  • Molecular FormulaC37H44ClNO6
  • Average mass634.201 Da
  • Monoisotopic mass633.285706 Da
  • ChemSpider ID10202291
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3S,3aR,4aS,4bS,6aR,7S,7dR,8S,9aR,14bS,14cR,16aS)-12-Chlor-2-isopropenyl-14b,14c,17,17-tetramethyl-10-methylen-3,3a,6,6a,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-2H,4bH-7,8-(epoxymethano)c yclobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indol-3,4b,7d(5H)-triol [German] [ACD/IUPAC Name]
(2R,3S,3aR,4aS,4bS,6aR,7S,7dR,8S,9aR,14bS,14cR,16aS)-12-Chloro-14b,14c,17,17-tetramethyl-10-methylene-2-(prop-1-en-2-yl)-3,3a,6,6a,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-2H,4bH-7,8-(epoxymethano)cyclobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b,7d(5H)-triol
(2R,3S,3aR,4aS,4bS,6aR,7S,7dR,8S,9aR,14bS,14cR,16aS)-12-chloro-14b,14c,17,17-tetramethyl-10-methylidene-2-(prop-1-en-2-yl)-3,3a,6,6a,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-2H,4bH-7,8-(epoxymethano)cyclobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b,7d(5H)-triol
(2R,3S,3aR,4aS,4bS,6aR,7S,7dR,8S,9aR,14bS,14cR,16aS)-12-Chloro-2-isopropenyl-14b,14c,17,17-tetramethyl-10-methylene-3,3a,6,6a,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-2H,4bH-7,8-(epoxymethano )cyclobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b,7d(5H)-triol [ACD/IUPAC Name]
(2R,3S,3aR,4aS,4bS,6aR,7S,7dR,8S,9aR,14bS,14cR,16aS)-12-Chloro-2-isopropényl-14b,14c,17,17-tétraméthyl-10-méthylène-3,3a,6,6a,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadécahydro-2H,4bH-7,8-(époxyméthano )cyclobuta[5,6]benzo[1,2-e]oxiréno[4',4a']chroméno[5',6':6,7]indéno[1,2-b]indole-3,4b,7d(5H)-triol [French] [ACD/IUPAC Name]
(2R,3S,3aR,4aS,4bS,6aR,7S,7dR,8S,9aR,14bS,14cR,16aS)-12-Chloro-2-isopropenyl-14b,14c,17,17-tetramethyl-10-methylene-3,3a,6,6a,7,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-2H,4bH-7,8-(epoxymethano)cyclobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b,7d(5H)-triol
12627-35-9 [RN]
244AU85PR7
2H,6H-Benzo[fg]cyclobut[kl]indeno[1,2-d][3]benzoxocin-14,15-imine-3,4b,11c(5H,6aH)-triol, 12-chloro-3,3a,6b,8,8a,9,9a,10,11,15a,15b,16,17,17a-tetradecahydro-8,8,15a,15b-tetramethyl-10-methylene-2-(1-m ethylethenyl)-, (2R,3S,3aR,4aS,4bS,6aR,6bS,8aS,9aR,11cR,15aS,15bR,17aS)- [ACD/Index Name]
2H,6H-Benzo[fg]cyclobut[kl]indeno[1,2-d][3]benzoxocin-14,15-imine-3,4b,11c(5H,6aH)-triol, 12-chloro-3,3a,6b,8,8a,9,9a,10,11,15a,15b,16,17,17a-tetradecahydro-8,8,15a,15b-tetramethyl-10-methylene-2-(1-methylethenyl)-, (2R,3S,3aR,4aS,4bS,6aR,6bS,8aS,9aR,11cR,15aS,15bR,17aS)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

UN 2811 [DBID]
UN2811 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio [HB1057]
      Ca2+-Activated Potassium Channels Tocris Bioscience 4617
      Ion Channels Tocris Bioscience 4617
      Ion channels/Voltage-gated ion channel/Potassium Channels/Calcium activated (K<sub>Ca</sub>) Hello Bio [HB1057]
      Potassium Channels Tocris Bioscience 4617
      Potent and selective BKCa (KCa1.1) channel blocker Tocris Bioscience 4617
      Potent and selective blocker of BKCa (KCa1.1) channels (IC50 values are 6.4 and 64.4 nM for BKCa channels containing ? subunits only, and those containing ? and ?1 respectively). Displays no effect on native delayed rectifier K+ and KATP currents, or cloned KV1.5 channels. Blocks BKCa channels in both inside-out and cell-attached patches. Shown to enhance smooth muscle contraction in vitro and increase total peripheral resistance in vivo. Tocris Bioscience 4617
      Potent and selective blocker of BKCa (KCa1.1) channels (IC50 values are 6.4 and 64.4 nM for BKCa channels containing ? subunits only, and those containing ? and ?1 respectively). Displays no effect on native delayed rectifier K+ and KATP currents, or cloned KV1.5 channels. Blocks BKCa channels in both inside-out and cell-attached patches. Shown to enhance smooth muscle contraction in vitro and inc rease total peripheral resistance in vivo. Tocris Bioscience 4617
      Potent and selective blocker of BKCa (KCa1.1) channels (IC50 values are 6.4 and 64.4 nM for BKCa channels containing alpha subunits only, and those containing alpha and beta1 respectively). Displays no effect on native delayed rectifier K+ and KATP currents, or cloned KV1.5 channels. Blocks BKCa channels in both inside-out and cell-attached patches. Shown to enhance smooth muscle contraction in vitro and increase total peripheral resistance in vivo. Tocris Bioscience 4617
      Potent and selective K<sub>Ca</sub>1.1 channel blocker (IC<sub>50</sub> values are 6.4 and 64.4 nM for &alpha;-subunit and &beta;1 subunits respectively). Displays little or no activity at CaCC, K<sub>v</sub>1.5 and K<sub>ATP</sub> channels. Neurotoxin produced by Penicillium genus. Displays enhancing smooth muscle contracting and tremorgenic properties. Hello Bio [HB1057]
      Potent, selective K<sub>Ca</sub>1.1 channel blocker Hello Bio [HB1057]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 169.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20785.93
ACD/KOC (pH 5.5): 42879.09
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20785.87
ACD/KOC (pH 7.4): 42878.95
Polar Surface Area: 107 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 440.3±5.0 cm3

Click to predict properties on the Chemicalize site






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