Buxbodine D

Catalog Number	ACM390362535
CAS Number	390362-53-5
Synonyms	Acetamide, N-[(3β,5α,20S)-3-(dimethylamino)-4,4,14-trimethyl-9,19-cyclopregn-6-en-20-yl]- (9CI)
Molecular Weight	426.7
InChI	InChI=1S/C28H46N2O/c1-18(29-19(2)31)20-11-13-26(6)22-10-9-21-24(3,4)23(30(7)8)12-14-27(21)17-28(22,27)16-15-25(20,26)5/h9-10,18,20-23H,11-17H2,1-8H3,(H,29,31)/t18-,20+,21-,22-,23-,25+,26-,27+,28-/m0/s1
InChI Key	ZIOKSILAUNMUGQ-DMEQQSNASA-N
Purity	95%+
Complexity	816
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Exact Mass	426.361014095
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)N(C)C)C)C)NC(=O)C
Monoisotopic Mass	426.361014095
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	32.3 Ų

Custom Q&A

What is the chemical formula of Buxbodine D?

The chemical formula of Buxbodine D is C28H46N2O.

What is the molecular weight of Buxbodine D?

The molecular weight of Buxbodine D is 426.69 g/mol.

What is the PubChem ID of Buxbodine D?

The PubChem ID of Buxbodine D is 78384625.

What is the CAS number of Buxbodine D?

The CAS number of Buxbodine D is 390362-53-5.

What is the boiling point of Buxbodine D?

The boiling point of Buxbodine D is predicted to be 543.8±33.0 °C.

What is the density of Buxbodine D?

The density of Buxbodine D is predicted to be 1.06±0.1 g/cm3.

What is the pka value of Buxbodine D?

The pka value of Buxbodine D is predicted to be 16.02±0.46.

What are the synonyms of Buxbodine D?

The synonyms of Buxbodine D include Buxbodine D and the chemical name given as Acetamide, N-[(3β,5α,20S)-3-(dimethylamino)-4,4,14-trimethyl-9,19-cyclopregn-6-en-20-yl]- (9CI).

What is the predicted category for Buxbodine D based on its chemical properties?

Based on its predicted boiling point, density, and pka value, Buxbodine D may fall into the category of organic compounds.

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