Chemical Properties of sumatriptan, TMS

sumatriptan, TMS

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InChI
InChI=1S/C20H37N3O2SSi2/c1-21(2)13-12-18-15-23(28(7,8)9)20-11-10-17(14-19(18)20)16-26(24,25)22(3)27(4,5)6/h10-11,14-15H,12-13,16H2,1-9H3
InChI Key
NEWUXABEIGAUTL-UHFFFAOYSA-N
Formula
C20H37N3O2SSi2
SMILES
CN(C)CCc1cn([Si](C)(C)C)c2ccc(CS(=O)(=O)N(C)[Si](C)(C)C)cc12
Molecular Weight1
439.76
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Physical Properties

Property Value Unit Source
ω 0.8451 Relay (... Calculated Property
ΔfG° 224.83 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -510.48 kJ/mol Relay (... Calculated Property
ΔvapH° 107.24 kJ/mol Relay (... Calculated Property
IE 7.41 eV Relay (... Calculated Property
log10WS -4.01 Relay (... Calculated Property
logPoct/wat 4.025 Crippen Calculated Property
Pc 679.14 kPa Relay (... Calculated Property ⚠️
Inp 2800.00 NIST
Tboil 703.79 K Relay (... Calculated Property
Tc 977.35 K Relay (... Calculated Property
Tfus 418.52 K Relay (... Calculated Property
Vc 1.357 m3/kmol Relay (... Calculated Property

Similar Compounds

Ibogaine. Tetrabenazine M (desmethyl-HO-), monoacetylated. Yohimbine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to sumatriptan, TMS.

Sources

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