Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

This is an old revision of this page, as edited by Beetstra (talk | contribs) at 13:43, 6 December 2011 (Saving copy of the {{chembox}} taken from revid 464343692 of page Saxitoxin for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'StdInChI', 'StdInChIKey').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 13:43, 6 December 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 464343692 of page Saxitoxin for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'StdInChI', 'StdInChIKey').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)

This page contains a copy of the infobox ({{chembox}}) taken from revid 464343692 of page Saxitoxin with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name (3aS-(3a-α,4-α,10aR*))-2,6-diamino-4-(((amino-carbonyl)oxy)methyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo(1,2-c)purine-10,10-diol
Identifiers
CAS Number	35523-89-8
3D model (JSmol)	Interactive image
ChemSpider	16736462
PubChem CID	37165
InChI InChI=1S/C11H18N6O4/c12-7-4-1-2-10(19,20)11(4)6(16-8(13)17-11)5(15-7)3-21-9(14)18/h4-6,19-20H,1-3H2,(H2,12,15)(H2,14,18)(H3,13,16,17)/p+2/t4?,5?,6-,11+/m0/s1Key: ZDYJXQPUIPVTAJ-RIQMIMBASA-P InChI=1/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1Key: RPQXVSUAYFXFJA-HGRQIUPRBO
SMILES O=C(OC2/N=C(/N)N31(/N=C(\N12)N)C(O)(O)CC3)N
Properties
Chemical formula	C₁₀H₁₇N₇O₄
Molar mass	299.29 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Chemical compound