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Decarbamoylneosaxitoxin - CAS 68683-58-9

Decarbamoylneosaxitoxin (CAS 68683-58-9) is one of the derivatives from saxitoxin. 

Catalog Number: T000005

CAS Number: 68683-58-9

Molecular Formula: C9 H16 N6 O4

Molecular Weight:272.26

Purity: ≥95%

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Synonym

SynonymsDecarbamoylneosaxitoxin; 1-Hydroxydecarbamoylsaxitoxin

Property

Molecular Formula: C9 H16 N6 O4
Molecular Weight272.26
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name(3aS,4R,10aS)-2-amino-5-hydroxy-4-(hydroxymethyl)-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
InChIInChI=1S/C9H16N6O4/c10-6-12-5-4(3-16)15(19)7(11)14-2-1-8(17,18)9(5,14)13-6/h4-5,11,16-19H,1-3H2,(H3,10,12,13)/t4-,5-,9-/m0/s1
InChIKeyKUMXVBFFVVLQFX-PJPYAQQDSA-N
SMILESC1CN2C(=N)N(C(C3C2(C1(O)O)NC(=N3)N)CO)O