10,11-Dimethoxy-3-isotetrahydroalstonique acide hydrazide diphosphate [French]

Base Information

• Chemical Name: 10,11-Dimethoxy-3-isotetrahydroalstonique acide hydrazide diphosphate [French]
• CAS No.: 72407-39-7
• Molecular Formula: C22H34N4O12P2
• Molecular Weight: 608.472482
• DSSTox Substance ID: DTXSID90993199
• Mol file: 72407-39-7.mol

Synonyms:10,11-Dimethoxy-3-isotetrahydroalstonique acide hydrazide diphosphate [French];72407-39-7;Oxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, hydrazide, (3-beta,19-alpha,20-alpha)-, phosphate (1:2);10,11-Dimethoxy-3-isotetrahydroalstonique acide hydrazide diphosphate;DTXSID90993199;C22H28N4O4.2H3O4P;LS-99742;C22-H28-N4-O4.2H3-O4-P;10,11-Dimethoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid--phosphoric acid (1/2)

Chemical Property of 10,11-Dimethoxy-3-isotetrahydroalstonique acide hydrazide diphosphate [French]

Chemical Property:

• PSA: 280.47000
• LogP: 1.63420
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 3
• Exact Mass: 608.16484653
• Heavy Atom Count: 40
• Complexity: 752

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)NN)NC5=CC(=C(C=C45)OC)OC.OP(=O)(O)O.OP(=O)(O)O
• Isomeric SMILES: C[C@H]1[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2C(=CO1)C(=O)NN)NC5=CC(=C(C=C45)OC)OC.OP(=O)(O)O.OP(=O)(O)O