CAS No. 6119-70-6

Molecular Formula: C40H48N4O4·H2SO4·2H2O
Molecular Weight: 782.96
Hazard Symbols: Xi,Xn
UN Number: UN 2811
WGKGermany: 3
HS Code: 29392000

More details are to be found on supplier website

Assay:99.0%min

Description:
Quinine hemisulfate acts as a K+ channel blocker.

• Molecular Weight: 819
• Molecular Formula: C40H58N4O12S

Purity: >98%

Canonical SMILES:
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.O.O.OS(=O)(=O)O

InChI:
InChI=1S/2C20H24N2O2.H2O4S.4H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);4*1H2/t2*13-,14-,19-,20+;;;;;/m00...../s1

InChIKey: OGONMKDIHSZENR-LKQQEMPKSA-N

• Boiling Point: 495.9°C at 760 mmHg
• Melting Point: 233-235°C
• Application: Analgesics, Non-Narcotic

Synonyms:
Quinine sulfate hydrate(2: 1: 4)

More details are to be found on supplier website

Smile code:
O[C@H](C1=CC=NC2=CC=C(OC)C=C12)[C@H]3[N@@]4C[C@H](C=C)[C@](CC4)([H])C3.O=S(O)(O)=O.[H]O[H].[H]O[H].[H]O[H].[H]O[H].O[C@H](C5=CC=NC6=CC=C(OC)C=C56)[C@H]7[N@@]8C[C@H](C=C)[C@](CC8)([H])C7
MDL Number:
MFCD29075629
Purity :
95%
Available in stock:
120 g