Tomatidine hydrochloride

• Catalog Number: ACM6192627
• Product Name: Tomatidine hydrochloride
• CAS: 6192-62-7
• Category: Heterocyclic Organic Compound
• Synonyms: (3β,5α,22β,25S)-Spirosolan-3-ol hydrochloride
• Molecular Weight: 452.1
• Molecular Formula: C₂₇H₄₆ClNO₂
• InChI: InChI=1S/C27H45NO2.ClH/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4;/h16-24,28-29H,5-15H2,1-4H3;1H/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-;/m0./s1
• InChI Key: SXXHVPYRDFJKPG-VXJLCZPPSA-N
• Melting Point: 281-284 °C
• Complexity: 696
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 12
• Exact Mass: 451.3217074
• Heavy Atom Count: 31
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 3
• Isomeric SMILES: C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1.Cl
• Monoisotopic Mass: 451.3217074
• Physical State: Powder
• Rotatable Bond Count: 0
• Safety Description: 22-24/25
• Topological Polar Surface Area: 41.5 Ų

Custom Q&A

What is the molecular formula of Tomatidine hydrochloride?

The molecular formula of Tomatidine hydrochloride is C27H46ClNO2.

What is the molecular weight of Tomatidine hydrochloride?

The molecular weight of Tomatidine hydrochloride is 452.1 g/mol.

What is the IUPAC name of Tomatidine hydrochloride?

The IUPAC name of Tomatidine hydrochloride is (1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0 2,9 .0 4,8 .0 13,18 ]icosane-6,2'-piperidine]-16-ol;hydrochloride.

What is the InChI of Tomatidine hydrochloride?

The InChI of Tomatidine hydrochloride is InChI=1S/C27H45NO2.ClH/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4;/h16-24,28-29H,5-15H2,1-4H3;1H/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-;/m0./s1.

What are the synonyms of Tomatidine hydrochloride?

The synonyms of Tomatidine hydrochloride are Tomatidine HCl, Tomatidin hydrochloride, and Tomatidine hydrochloride [MI].

What is the CAS number of Tomatidine hydrochloride?

The CAS number of Tomatidine hydrochloride is 6192-62-7.

What is the UNII of Tomatidine hydrochloride?

The UNII of Tomatidine hydrochloride is ENY5VJU5UB.

What is the ChEMBL ID of Tomatidine hydrochloride?

The ChEMBL ID of Tomatidine hydrochloride is CHEMBL2357454.

How many hydrogen bond donor counts does Tomatidine hydrochloride have?

Tomatidine hydrochloride has 3 hydrogen bond donor counts.

What is the topological polar surface area of Tomatidine hydrochloride?

The topological polar surface area of Tomatidine hydrochloride is 41.5 ?2.