CAS 13529-31-2

Androstane-3,17-diol, 2,16-di-1-piperidinyl-, 3,17-diacetate, (2β,3α,5α,16β,17β)-

Description:

Androstane-3,17-diol, 2,16-di-1-piperidinyl-, 3,17-diacetate, with the CAS number 13529-31-2, is a synthetic steroid derivative characterized by its complex structure, which includes multiple functional groups and a steroid backbone. This compound features two piperidine rings, which contribute to its pharmacological properties, and acetate groups that enhance its solubility and stability. The stereochemistry indicated by the (2β,3α,5α,16β,17β) configuration suggests specific spatial arrangements of atoms that can significantly influence its biological activity and interaction with receptors. Typically, compounds of this nature are studied for their potential therapeutic applications, particularly in the fields of endocrinology and pharmacology, where they may exhibit effects related to hormone modulation. The presence of hydroxyl groups in the structure suggests potential for hydrogen bonding, which can affect its solubility and reactivity. Overall, this compound exemplifies the intricate relationship between chemical structure and biological function in steroid chemistry.

Formula: C₃₃H₅₄N₂O₄

InChI: InChI=1S/C33H54N2O4/c1-22(36)38-30-19-24-11-12-25-26(33(24,4)21-29(30)35-17-9-6-10-18-35)13-14-32(3)27(25)20-28(31(32)39-23(2)37)34-15-7-5-8-16-34/h24-31H,5-21H2,1-4H3/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1

InChI key: InChIKey=CSXHRHGXNQSNQW-ZZZJANDJSA-N

SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(C[C@H](OC(C)=O)[C@H](C4)N5CCCCC5)[H])[H])[H])(C[C@@H]([C@@H]2OC(C)=O)N6CCCCC6)[H]

Synonyms:

• (2Β,3Α,8Ξ,9Ξ,14Ξ,16Β,17Β)-3-(Carboxyoxy)-2,16-Di(Piperidin-1-Yl)Androstan-17-Yl Acetate
• (2β,3α,5α,16β,17β)-2,16-Bis(piperidino)androstane-3,17-diol 3,17-diacetate
• (2β,3α,5α,16β,17β)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane
• 2Ss,16Ss-Dipiperidino-5A-Androstane-3A,17Ss-Dioldiacetate
• 2Β,11Β-Dipiperidino-3Α,17Β-Diacetony- 5Α-Androstane
• 2β,16β-Dipiperidino-5α-androstane-3α,17β-diol diacetate (ester)
• 5α-Androstane-3α,17β-diol, 2β,16β-dipiperidino-, diacetate (ester)
• 5α-Androstane-3α,17β-diol,2beta,16β-dipiperidino-,diacetate(ester)(8Cl)
• Androstane-3,17-diol, 2,16-di-1-piperidinyl-, 3,17-diacetate, (2β,3α,5α,16β,17β)-
• Androstane-3,17-diol, 2,16-di-1-piperidinyl-, diacetate (ester), (2β,3α,5α,16β,17β)-
• Androstane-3,17-diol,2,16-di-1-piperidinyl-,diacetate(ester),(2,3,5,16,17)-

Vecuronium Bromide Related Compound A (3α,17β-diacetyl-oxy-2β, 16β-bispiperidinyl-5α-androstan)

CAS: 13529-31-2

Compounds containing an unfused pyridine ring in the structure, nesoi

Formula: C₃₃H₅₄N₂O₄

Color and Shape: White Powder

Molecular weight: 542.40836

Ref: 45-1711166

Pancuronium Bromide EP Impurity E (Vecuronium Bromide USP Related Compound A)

CAS: 13529-31-2

Formula: C₃₃H₅₄N₂O₄

Molecular weight: 542.805

Ref: 4Z-D-228004

N-Desmethyl Vecuronium

Controlled Product

CAS: 13529-31-2

Applications N-Desmethyl Vecuronium is an impurity in the synthesis of Vecuronium Bromide (V102500), an aminosteroid, competitive neuromuscular blocker agent.
References Buckett, W.R., et al.: J. Med. Chem., 16, 1116 (1973), Fahey, M.R., et al.: Anesthesiology, 55, 6 (1981), Gibb, A., et al.: Br. J. Pharmacol., 89, 619 (1986), Blount, K., et al.: Toxicon., 30, 835 (1992),

Formula: C₃₃H₅₄N₂O₄

Color and Shape: Neat

Molecular weight: 542.79

Ref: TR-D296490

N-Desmethyl vecuronium

CAS: 13529-31-2

N-Desmethyl vecuronium is the quaternary salt of vecuronium. It is an impurity that may be formed during the manufacturing process of vecuronium. This chemical is a cyclic ether and cyclic quaternary salt with a quaternization reaction that produces a tertiary amine. The quaternary salt is not specified, but it may have been derived from a primary or secondary amine through hydrolysis and quaternization with chloroacetic acid.

Formula: C₃₃H₅₄N₂O₄

Purity: Min. 95%

Molecular weight: 542.8 g/mol

Ref: 3D-NAA52931

Vecuronium Bromide EP Impurity A

CAS: 13529-31-2

Formula: C₃₃H₅₄N₂O₄

Molecular weight: 542.81

Ref: ST-EA-CP-V43001