sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 11BETA,17ALPHA-DIHYDROXY-4-PREGNENE-3,20-DIONE

11BETA,17ALPHA-DIHYDROXY-4-PREGNENE-3,20-DIONE

CAS No.:
641-77-0
Catalog Number:
AG00EBWG
Molecular Formula:
C12H10Br2Cl2N4O8S
Molecular Weight:
601.0088
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00EBWG
Chemical Name:
11BETA,17ALPHA-DIHYDROXY-4-PREGNENE-3,20-DIONE
CAS Number:
641-77-0
Molecular Formula:
C12H10Br2Cl2N4O8S
Molecular Weight:
601.0088
MDL Number:
MFCD00056476
IUPAC Name:
(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1
InChI Key:
LCZBQMKVFQNSJR-UJPCIWJBSA-N
SMILES:
[O-]S(=O)(=O)[O-].[NH3+]c1c(Cl)cc(cc1Br)[N+](=O)[O-].[NH3+]c1c(Cl)cc(cc1Br)[N+](=O)[O-]
EC Number:
211-375-7
Properties
Complexity:
667  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
346.214g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
346.467g/mol
Monoisotopic Mass:
346.214g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Neonatal screening: identification of children with 11β-hydroxylase deficiency by second-tier testing. Hormone research in paediatrics 20120101
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 of endocrinological investigation 20110901
Superior discriminating value of ACTH-stimulated serum 21-deoxycortisol in identifying heterozygote carriers for 21-hydroxylase deficiency. Clinical endocrinology 20101201
Premature pubarche in Mediterranean girls: high prevalence of heterozygous CYP21 mutation carriers. Gynecological endocrinology : the official journal of the International Society of Gynecological Endocrinology 20100501
Evaluation of cortisol precursors for the diagnosis of pituitary-dependent hypercortisolism in dogs. The Veterinary record 20080524
21-hydroxylase deficiency transiently mimicking combined 21- and 11beta-hydroxylase deficiency. Journal of pediatric endocrinology & metabolism : JPEM 20080501
Newborn screening for congenital adrenal hyperplasia: additional steroid profile using liquid chromatography-tandem mass spectrometry. The Journal of clinical endocrinology and metabolism 20070701
Cortisol, aldosterone, cortisol precursor, androgen and endogenous ACTH concentrations in dogs with pituitary-dependant hyperadrenocorticism treated with trilostane. Domestic animal endocrinology 20060701
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. The Journal of clinical endocrinology and metabolism 20060601
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Late diagnosis of congenital adrenal hyperplasia due to 21-hydroxylase deficiency. Experimental and clinical endocrinology & diabetes : official journal, German Society of Endocrinology [and] German Diabetes Association 20060401
Analysis of 21-deoxycortisol, a marker of congenital adrenal hyperplasia, in blood by atmospheric pressure chemical ionization and electrospray ionization using multiple reaction monitoring. Rapid communications in mass spectrometry : RCM 20040101
Surface-activated chemical ionization ion trap mass spectrometry in the analysis of 21-deoxycortisol in blood. Rapid communications in mass spectrometry : RCM 20040101
Diagnosis of adrenal cortical dysfunction by liquid chromatography-tandem mass spectrometry. Annals of clinical and laboratory science 20010401
Properties