PRAJMALIUM BITARTRATE


Synonyms	GT-1012 N-propylajmaline bitartrate N-propylajmalinium tartrate NPA-P NPAP Neo gilurythmal Neo-gilurytmal Prajmaline bitartrate Prajmaline hydrogen tartrate Prajmalium bitartrate
Status
Molecule Category	Salt-form
UNII	H671L9190Z


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	VZAUGYDMVQSQAO-BAYLNNJJSA-M
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.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

Cross References

Resources	Reference
ChEMBL	CHEMBL3833388
FDA SRS	H671L9190Z
PubChem	76959817

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).