Caldaret monohydrate
5-methyl-2-piperazin-1-ylbenzenesulfonic acid;hydrate
Molecular Identity
Caldaret monohydrate
5-methyl-2-piperazin-1-ylbenzenesulfonic acid;hydrate
PubChem CID: 9816981
2D Structure
Properties
C11H18N2O4S
Molecular Formula
274.34
Molecular Weight
g/mol
274.0987
Exact Mass
Da
79
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
346
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O.OIsomeric SMILES
SMILES: CC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O.OSynonyms(18)
Caldaret monohydrateMCC-135192509-24-3UNII-2SH110E854Benzenesulfonic acid, 5-methyl-2-(1-piperazinyl)-, monohydrate2SH110E8545-methyl-2-(1-piperazinyl)benzenesulfonic acid monohydrateBenzenesulfonic acid, 5-methyl-2-(1-piperazinyl)-, hydrate (1:1)MCC135 monohydrateMCC-135 monohydrateSCHEMBL2853338CHEMBL4297401SCHEMBL29711318DTXSID20431256ZRQKZWAOIRVBFD-UHFFFAOYSA-N
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Caldaret monohydrate
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