PRAJMALIUM BITARTRATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: H671L9190Z

Structure
InChI Key VZAUGYDMVQSQAO-BAYLNNJJSA-M
Smile CCC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@H]5O.O=C([O-])C(O)C(O)C(=O)O
InChI
InChI=1S/C23H33N2O2.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1/t13-,14-,17-,18-,19+,20-,21+,22+,23+,25?;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H38N2O8
Molecular Weight 518.61
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

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3833388
FDA SRS H671L9190Z
PubChem 76959817
CONTENTS