Noscapine hydrochlorideProduct ingredient for Noscapine

Show full entry for Noscapine

Name

Noscapine hydrochloride

Drug Entry

Noscapine

Accession Number

DBSALT001995

Structure

Similar Structures

Synonyms

Not Available

UNII

TTN62ITH9I

CAS Number

912-60-7

Weight

Average: 449.88
Monoisotopic: 449.1241298

Chemical Formula

C₂₂H₂₄ClNO₇

InChI Key

MFLVZFXCSKVCSH-URBRKQAFSA-N

InChI

InChI=1S/C22H23NO7.ClH/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18;/h5-6,9,17-18H,7-8,10H2,1-4H3;1H/t17-,18+;/m1./s1

IUPAC Name

(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one hydrochloride

SMILES

Cl.COC1=CC=C2[C@H](OC(=O)C2=C1OC)[C@@H]1N(C)CCC2=CC3=C(OCO3)C(OC)=C12

External Links

ChemSpider: 390784
ChEMBL: CHEMBL2106732

Predicted Properties

Property	Value	Source
Water Solubility	0.181 mg/mL	ALOGPS
logP	2	ALOGPS
logP	2.58	Chemaxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	12.86	Chemaxon
pKa (Strongest Basic)	7.14	Chemaxon
Physiological Charge	1	Chemaxon
Hydrogen Acceptor Count	7	Chemaxon
Hydrogen Donor Count	0	Chemaxon
Polar Surface Area	75.69 Å²	Chemaxon
Rotatable Bond Count	4	Chemaxon
Refractivity	107.08 m³·mol^-1	Chemaxon
Polarizability	41.17 Å³	Chemaxon
Number of Rings	5	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	Yes	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Noscapine hydrochlorideProduct ingredient for Noscapine

Structure for Noscapine hydrochloride (DBSALT001995)