Compound Selection

Formula: C29H44O12

MW: 584.66

Salt: 8H2O

CAS: 11018-89-6

MDL NUMBER: MFCD03548271

Smiles: O1[C@@H](C)[C@@H]([C@H]([C@H](O)[C@@H]1O[C@H]1C[C@@H](O)[C@@]2(CO)[C@](O)(C1)CC[C@H]1([C]3([C](C[C@H]([C@H]21)O)([C@H](CC3)C1=CC(OC1)=O)C)O))O)O

Ouabain octahydrate 96%

THERAPEUTIC CATEGORY: Cardiotonic

VET THERAP CATEGORY: Cardiotonic, Diuretic

ACCEPTORS: 12

DONORS: 8

ROTATION BONDS: 1

N+O: 12

Chiral Centers: 15

LogP: -1

LogS: -3.81

LIPINSKI: 1

Synonyms: G-STROPHANTHIN OCTAHYDRATE;G-STROPHANTIN OCTAHYDRATE;STROPHANTHIN G;STROPHANTHIN G, OCTAHYDRATE;OUABAIN 8H20;OUABAIN 8H2O;OUABAIN HYDRATE;(-)-OUABAIN OCTAHYDRATE

CAS:11018-89-6

MF:C29H60O20

MW:728.77

EINECS:211-139-3

Product Categories: OUABAIN OCTAHYDRATE

Chemical Properties: mp 260 C solubility H2O: 10 mg/mL cold form powder color white T Risk Statements 23/25-33 Safety Statements 45 RIDADR UN 1544 6.1/PG 1 WGK Germany 3 RTECS RN3850000 F 8 HazardClass 6.1(b) PackingGroup III OUABAIN OCTAHYDRATE

Usage And Synthesis:

Chemical Properties: white to off-white crystalline powder OUABAIN OCTAHYDRATE

Chemical Compounds - BioActive Compounds

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MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management