Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

This is an old revision of this page, as edited by Beetstra (talk | contribs) at 13:06, 6 December 2011 (Saving copy of the {{drugbox}} taken from revid 457002229 of page Rolitetracycline for the Chem/Drugbox validation project (updated: 'ChEMBL').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

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This page contains a copy of the infobox ({{drugbox}}) taken from revid 457002229 of page Rolitetracycline with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

Other names	(2Z,4S,4aS,5aS,6S,12aS)-4-dimethylamino-6,10,11,12a-tetrahydroxy-2--6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
ATC code	J01AA09 (WHO)
Identifiers
IUPAC name (2Z,4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-{hydroxymethylene}-6-methyl-4a,5a,6,12a-tetrahydrotetracene-1,3,12(2H,4H,5H)-trione
CAS Number	751-97-3
PubChem CID	5282179
DrugBank	DB01301
ChemSpider	10469507
UNII	GH9IW85221
KEGG	D02282
Chemical and physical data
Formula	C₂₇H₃₃N₃O₈
Molar mass	527.566 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES O=C(NCN1CCCC1)\C2=C(/O)(N(C)C)3CC5C(=C(\O)3(O)C2=O)\C(=O)c4c(O)cccc45(C)O
InChI InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15-,20-,26+,27-/m0/s1 Key:HMEYVGGHISAPJR-VQCPGFMQSA-N
(what is this?) (verify)