User:Boghog/Sandbox6

Boghog/Sandbox6

Clinical data
ATC code	D06AX01 (WHO) D09AA02 (WHO) J01XC01 (WHO)
Pharmacokinetic data
Bioavailability	91% oral bioavailability
Protein binding	97 to 99%
Elimination half-life	Approximately 5 to 6 hours in adults
Identifiers
IUPAC name 2-[(1S,2S,5R,6S,7S,10S,11S,13S,14Z,15R,17R)- 13-(acetyloxy)-5,17-dihydroxy-2,6,10,11- tetramethyltetracyclo[8.7.0.02,7.011,15] heptadecan-14-ylidene]-6-methylhept-5-enoic acid
CAS Number	6990-06-3
PubChem CID	3000226
DrugBank	DB02703 Y
ChemSpider	2271900 Y
UNII	59XE10C19C
ChEBI	CHEBI:29013 Y
ChEMBL	ChEMBL374975 Y
Chemical and physical data
Formula	C31H48O6
Molar mass	516.709 g·mol−1
3D model (JSmol)	Interactive image
SMILES O=C(O)/C(=C3/[C@@H]2C[C@@H](O)[C@H]1[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]1([C@]2(C[C@@H]3OC(=O)C)C)C)CC\C=C(/C)C
InChI InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1 Y Key:IECPWNUMDGFDKC-MZJAQBGESA-N Y
(verify)