Dichlorisone acetate

CAS

79-61-8

Catalog Number

ACM79618

Category

Steroidal Compounds

Molecular Weight

455.37

Molecular Formula

C₂₃H₂₈Cl₂O₅

MSDS COA Spec Sheet

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Specification

Synonyms

Sch 5005; dichlorisone 21-acetate; 9ALPHA,11BETA-DICHLORO-17ALPHA,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE; dichlorisone;

IUPAC Name

[2-[(8S,9R,10S,11S,13S,14S,17R)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]acetate

Canonical SMILES

CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)Cl)C)O

InChI Key

YNNURTVKPVJVEI-GSLJADNHSA-N

Boiling Point

596.2ºC at 760 mmHg

Flash Point

314.4ºC

Density

1.34g/cm³

EC Number

201-213-3

Exact Mass

454.13100

What is the molecular formula of Dichlorisone acetate?

The molecular formula of Dichlorisone acetate is C23H28Cl2O5.

What is the molecular weight of Dichlorisone acetate?

The molecular weight of Dichlorisone acetate is 455.4 g/mol.

What is the CAS number of Dichlorisone acetate?

The CAS number of Dichlorisone acetate is 79-61-8.

What is the IUPAC name of Dichlorisone acetate?

The IUPAC name of Dichlorisone acetate is [2-[(8S,9R,10S,11S,13S,14S,17R)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.

What is the InChIKey of Dichlorisone acetate?

The InChIKey of Dichlorisone acetate is YNNURTVKPVJVEI-GSLJADNHSA-N.

What is the XLogP3 value of Dichlorisone acetate?

The XLogP3 value of Dichlorisone acetate is 3.1.

How many hydrogen bond donor counts does Dichlorisone acetate have?

Dichlorisone acetate has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does Dichlorisone acetate have?

Dichlorisone acetate has 5 hydrogen bond acceptor counts.

How many rotatable bond counts does Dichlorisone acetate have?

Dichlorisone acetate has 4 rotatable bond counts.

What is the topological polar surface area of Dichlorisone acetate?

The topological polar surface area of Dichlorisone acetate is 80.7Å².