Compound Identification
SMILES
Cl.Cl.NC(=O)OCC1N=C(N)N2CCC(O)(O)C22NC(N)=NC12
InChIKey
InChIKey=YHAHUGQQOBPXOZ-UHFFFAOYSA-N
Formula
C10H19Cl2N7O4
Mass
372.21
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Saxitoxins, gonyautoxins, and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Saxitoxins, gonyautoxins, and derivatives
Alternative Parents
Alkaloids and derivatives Imidazopyrimidines Hydropyrimidines Pyrrolidines Carbamate esters Imidazolines Guanidines Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl hydrates Carboximidamides Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Hydrochlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Imidazopyrimidine - Alkaloid or derivatives - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - 2-imidazoline - Pyrrolidine - Carbamic acid ester - Guanidine - Carbonic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carbonyl hydrate - Azacycle - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrochloride - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. These are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton.
External Descriptors
Not available