10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl trifluoromethanesulfonate

Compound number:
MolPort-042-665-649
CAS number: 183140-97-8
IUPAC:
10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl trifluoromethanesulfonate
IUPAC traditional:
10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl trifluoromethanesulfonate
SMILES:
CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
InChI key:
XKXPMSXRABANAG-UHFFFAOYSA-N
Molecular formula:
C19H19F3N4O3S
Molecular weight: 440.44
Solubility: not available

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 2 business days Purity: 99.0
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
10 mg January 27, 2020 171.10 USD
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More Information

Compound Identifiers
Compound number: MolPort-042-665-649
CAS number: 183140-97-8

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000014299681
MFCD00951800
11-(4-Methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-2-yl trifluoromethanesulfonate
GMC 1-169
Methanesulfonic acid, trifluoro-, 11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-2-yl ester
Trifluoro-methanesulfonic acid 11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-2-yl ester

InChI
InChI: 1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3
InChI key: XKXPMSXRABANAG-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C19H19F3N4O3S
Molecular weight: 440.44

Other

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2020 MolPort, v3.33, release date 22-01-2020 14:00 (+0200). All rights reserved.
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