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Chemical structure of SZ1676

GC31228

SZ1676

Also known as [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-10,13-dimethyl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide

SZ1676 is a derivative of SZ1677, which is a neuromuscular blocking agent

ChemicalCAS159325-23-2MW707.78FormulaC37H59BrN2O6
CAS number
159325-23-2
Molecular weight
707.78
Formula
C37H59BrN2O6
Solubility
Soluble in DMSO
InChIKey
ZZYGWFNCSVBPJK-KXBZQBBNSA-M
Catalogue number
GC31228
Brand
GLPBIO
Computed properties PubChem CID 67684264 · TPSA 74.3 Ų · H-bond donors 0 · H-bond acceptors 8
TPSA
74.3 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
46

SMILES CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCC5(CC4)OCCO5)C)CC[C@]6([C@H]3C[C@@H]([C@@H]6OC(=O)C)[N+]7(CCCC7)CC=C)C.[Br-]

Computed descriptors from PubChem (CID 67684264), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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