Yohimbic acid monohydrate

Base Information

• Chemical Name: Yohimbic acid monohydrate
• CAS No.: 207801-27-2
• Molecular Formula: C20H24N2O3.H2O
• Molecular Weight: 358.435
• European Community (EC) Number: 688-164-5
• UNII: DN3BXM2IR8
• DSSTox Substance ID: DTXSID7045578
• Wikidata: Q27276489
• ChEMBL ID: CHEMBL1484026
• Mol file: 207801-27-2.mol

Synonyms:Yohimbic acid monohydrate;Yohimbinic acid monohydrate;207801-27-2;Yohimbic acid (hydrate);UNII-DN3BXM2IR8;DN3BXM2IR8;Yohimbic acid hydrate;DTXSID7045578;Yohimban-16-carboxylic acid, 17-hydroxy-, monohydrate, (16alpha,17alpha)-;Acido yohimbico;YOHIMBINIC ACID MONOHYDRATE 99;(1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid;hydrate;DTXCID5025578;MLS002153893;Prestwick_497;CAS-207801-27-2;SMR001233242;NCGC00017100-01;CHEMBL1484026;UXXCUDYYOMDFPX-GPRFVYSASA-N;Yohimbinic acid monohydrate, 99%;HMS1569F22;HMS2096F22;HMS2235B06;Tox21_110776;AKOS030502397;Tox21_110776_1;CCG-214492;HY-121936A;NCGC00178432-05;(1R,2S,4aR,13bS,14aS)-2-hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid hydrate;MS-25641;CS-0108170;F82489;J-013619;Q27276489;YOHIMBAN-16-CARBOXYLIC ACID, 17-HYDROXY-, MONOHYDRATE, (16.ALPHA.,17.ALPHA.)-

Chemical Property of Yohimbic acid monohydrate

Chemical Property:

• Vapor Pressure: 3.04E-15mmHg at 25°C
• Melting Point: 267-268 °C (dec.)(lit.)
• Boiling Point: 600°C at 760 mmHg
• Flash Point: 316.6°C
• PSA: 85.79000
• LogP: 2.43230
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 358.18925731
• Heavy Atom Count: 26
• Complexity: 541

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(C2C1CN3CCC4=C(C3C2)NC5=CC=CC=C45)C(=O)O)O.O
• Isomeric SMILES: C1C[C@@H]([C@@H]([C@@H]2[C@@H]1CN3CCC4=C([C@@H]3C2)NC5=CC=CC=C45)C(=O)O)O.O