tubocurarine

[(Science: drug) An alkaloid that acts as a muscle relaxant by blocking acetyl choline receptors.

Molecular Formula: C₃₇H₄₁N₂O₆⁺

InChI: InChI=1/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1/fC37H41N2O6/h40-41H/q+1

InChIKey: InChIKey=JFJZZMVDLULRGK-PQZLGKJWDW
SMILES: [H][C@]12Cc3ccc(Oc4c(O)c(OC)cc5CC[N+](C)(C)[C@]([H])(Cc6ccc(O)c(Oc7cc1c(CCN2C)cc7OC)c6)c45)cc3

CAS number 57-95-4

Names:
    KBio1_001515
    Tubocurarine
    Tubocurarin
    Tubocurarine
    tubocurarine
    (+)-tubocurarine
    7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium

Registries:
    PubChem CID 6000
    Beilstein =3898737
    CAS 57-95-4 (from NIST)
    ChEBI 9774
    Kegg C07547
    PubChem ID 11361929
    PubChem ID 9750