BAMETHAN SULFATE

Search structure


Synonyms:	Bamethan hemisulfate Bamethan hemisulfate salt Bamethan sulf Bamethan sulfate Bamethan sulphate Bascurat Bupatol Butedrin Butylnorsympatol Eclern Garmian Periphetol Rotesar Vasculat Vasculit
Status:	Approved
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	W2L3E1W827

Structure


InChI Key	PARMADWNFXEEFC-UHFFFAOYSA-N
Smile	CCCCNCC(O)c1ccc(O)cc1.CCCCNCC(O)c1ccc(O)cc1.O=S(=O)(O)O
InChI	InChI=1S/2C12H19NO2.H2O4S/c21-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;1-5(2,3)4/h24-7,12-15H,2-3,8-9H2,1H3;(H2,1,2,3,4)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H40N2O8S
Molecular Weight	516.66
AlogP	1.82
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	52.49
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	15.0

Cross References

Resources	Reference
ChEBI	31251
ChEMBL	CHEMBL2106636
FDA SRS	W2L3E1W827
PubChem	21955
SureChEMBL	SCHEMBL120957

CONTENTS