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641-77-0,MFCD00056476
Catalog No.:AA00EBTO

641-77-0 | (8S,9S,10R,11S,13S,14S,17R)-17-Acetyl-11,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one

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Purity
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1mg
≥95%
in stock  
$65.00   $45.00
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5mg
≥95%
in stock  
$173.00   $121.00
- +
10mg
≥95%
in stock  
$315.00   $220.00
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25mg
≥95%
in stock  
$549.00   $384.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00EBTO
Chemical Name:
(8S,9S,10R,11S,13S,14S,17R)-17-Acetyl-11,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
CAS Number:
641-77-0
Molecular Formula:
C12H10Br2Cl2N4O8S
Molecular Weight:
601.0088
MDL Number:
MFCD00056476
SMILES:
[O-]S(=O)(=O)[O-].[NH3+]c1c(Cl)cc(cc1Br)[N+](=O)[O-].[NH3+]c1c(Cl)cc(cc1Br)[N+](=O)[O-]
Properties
Properties
 
Form:
Solid  
MP:
222-225°C  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
667  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.7  

Literature

Title: Neonatal screening: identification of children with 11β-hydroxylase deficiency by second-tier testing.

Journal: Hormone research in paediatrics 20120101

Title: Zona fasciculata 21-hydroxysteroids and precursor-to-product ratios in 21-hydroxylase deficiency: further characterization of classic and non-classic patients and heterozygote carriers.

Journal: Journal of endocrinological investigation 20110901

Title: Superior discriminating value of ACTH-stimulated serum 21-deoxycortisol in identifying heterozygote carriers for 21-hydroxylase deficiency.

Journal: Clinical endocrinology 20101201

Title: Premature pubarche in Mediterranean girls: high prevalence of heterozygous CYP21 mutation carriers.

Journal: Gynecological endocrinology : the official journal of the International Society of Gynecological Endocrinology 20100501

Title: Evaluation of cortisol precursors for the diagnosis of pituitary-dependent hypercortisolism in dogs.

Journal: The Veterinary record 20080524

Title: 21-hydroxylase deficiency transiently mimicking combined 21- and 11beta-hydroxylase deficiency.

Journal: Journal of pediatric endocrinology & metabolism : JPEM 20080501

Title: Newborn screening for congenital adrenal hyperplasia: additional steroid profile using liquid chromatography-tandem mass spectrometry.

Journal: The Journal of clinical endocrinology and metabolism 20070701

Title: Cortisol, aldosterone, cortisol precursor, androgen and endogenous ACTH concentrations in dogs with pituitary-dependant hyperadrenocorticism treated with trilostane.

Journal: Domestic animal endocrinology 20060701

Title: Serum 21-Deoxycortisol, 17-Hydroxyprogesterone, and 11-deoxycortisol in classic congenital adrenal hyperplasia: clinical and hormonal correlations and identification of patients with 11beta-hydroxylase deficiency among a large group with alleged 21-hydroxylase deficiency.

Journal: The Journal of clinical endocrinology and metabolism 20060601

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Late diagnosis of congenital adrenal hyperplasia due to 21-hydroxylase deficiency.

Journal: Experimental and clinical endocrinology & diabetes : official journal, German Society of Endocrinology [and] German Diabetes Association 20060401

Title: Analysis of 21-deoxycortisol, a marker of congenital adrenal hyperplasia, in blood by atmospheric pressure chemical ionization and electrospray ionization using multiple reaction monitoring.

Journal: Rapid communications in mass spectrometry : RCM 20040101

Title: Surface-activated chemical ionization ion trap mass spectrometry in the analysis of 21-deoxycortisol in blood.

Journal: Rapid communications in mass spectrometry : RCM 20040101

Title: Diagnosis of adrenal cortical dysfunction by liquid chromatography-tandem mass spectrometry.

Journal: Annals of clinical and laboratory science 20010401

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Tags:641-77-0 Molecular Formula|641-77-0 MDL|641-77-0 SMILES|641-77-0 (8S,9S,10R,11S,13S,14S,17R)-17-Acetyl-11,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one