PRAJMALIUM

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Synonyms
Status
Molecule Category Free-form
UNII 75934UD4GJ
EPA CompTox DTXSID6023494

Structure

InChI Key UAUHEPXILIZYCU-GSPNQRMKSA-N
Smiles CCC[N+]12[C@H](O)[C@@H](CC)[C@@H]3C[C@H]1[C@@H]1N(C)c4ccccc4[C@]14C[C@H]2[C@@H]3[C@H]4O
InChI
InChI=1S/C23H33N2O2/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3/q+1/t13-,14-,17-,18-,19+,20-,21+,22+,23+,25?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H33N2O2+
Molecular Weight 369.53
AlogP 2.48
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 43.7
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Related Entries

Cross References

Resources Reference
CAS NUMBER 35080-11-6
ChEMBL CHEMBL3833382
FDA SRS 75934UD4GJ
PubChem 76959818
ZINC ZINC000100186241
CONTENTS