PSEUDOEPHEDRINE SULFATE


Trade Names	AFRINOL
Synonyms	Afrinol D-pseudoephedrine sulfate Pseudoephedrine sulfate Pseudoephedrine sulphate SCH 4855 SCH-4855
Status
Molecule Category	Salt-form
UNII	Y9DL7QPE6B
EPA CompTox	DTXSID20889379
Parent Compound:	PSEUDOEPHEDRINE


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

Structure


InChI Key	CAVQBDOACNULDN-NRCOEFLKSA-N
Smiles	CN[C@@H](C)[C@@H](O)c1ccccc1.CN[C@@H](C)[C@@H](O)c1ccccc1.O=S(=O)(O)O
InChI	InChI=1S/2C10H15NO.H2O4S/c21-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4/h23-8,10-12H,1-2H3;(H2,1,2,3,4)/t2*8-,10+;/m00./s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H32N2O6S
Molecular Weight	428.55
AlogP	1.33
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	32.26
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	12.0

Bioactivity

Mechanism of Action	Action	Reference
Norepinephrine transporter releasing agent	RELEASING AGENT	ISBN PubMed PubMed Wikipedia Wikipedia Wikipedia Wikipedia


Protein: Norepinephrine transporter Description: Sodium-dependent noradrenaline transporter Organism : Homo sapiens P23975 ENSG00000103546

Cross References

Resources	Reference
ChEMBL	CHEMBL3989855
FDA SRS	Y9DL7QPE6B
PubChem	9802673
SureChEMBL	SCHEMBL41308

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).