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NeoSTX

CAT: 0013-GTR19241645-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241645-02Size:50 mg
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Description
Neosaxitoxin (NeoSTX) is a site 1-specific sodium channel blocker used in research to study nerve conduction. It acts synergistically with local anesthetics, extending the duration of both surgical nerve blocks and postoperative analgesia in preclinical models.
CAS Number
64296-20-4
Smiles
OC1 (O) [C@]23[C@] ([C@H] (COC (N) =O) N (O) C (=N) N2CC1) (N=C (N) N3) [H]
Molecular Formula
C10H17N7O5
Molecular Weight
315.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Neosaxitoxin

Neosaxitoxin is a pyrrolopurine that is saxitoxin carrying a hydroxy substituent on the nitrogen atom at position 5. It is a sodium channel blocker that is undergoing clinical trials as a prolonged-duration local anesthetic. It has a role as a toxin, a local anaesthetic, a voltage-gated sodium channel blocker, a neurotoxin, an anti-inflammatory agent, a marine metabolite and a cyanotoxin. It is a pyrrolopurine, a paralytic shellfish toxin, an alkaloid, a carbamate ester, a member of guanidines, a member of hydroxylamines and a ketone hydrate. It is functionally related to a saxitoxin.

CAS Number64296-20-4
PubChem CID21117946
IUPAC Name[(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Molecular FormulaC10H17N7O5
Molecular Weight315.29
XLogP-4.3
Topological Polar Surface Area194
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity566
SMILES
C1CN2C(=N)N([C@H]([C@H]3[C@]2(C1(O)O)NC(=N3)N)COC(=O)N)O
InChI
InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1
InChIKey
PPEKGEBBBBNZKS-HGRQIUPRSA-N
Chemical Structure
2D Structure
2D structure of Neosaxitoxin
CAS: 64296-20-4
CID: 21117946
Formula: C10H17N7O5
MW: 315.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.29
XLogP3-4.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass315.12911667
Monoisotopic Mass315.12911667
Topological Polar Surface Area194 Ų
Heavy Atom Count22
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202884-01NeoSTX

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