AG00C2Z0

Name: (11b,16a,17a)-9-Chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-androsta-1,4-dien-3-one
Brand: Angene Chemical
SKU: AG00C2Z0

223776-49-6 | (11b,16a,17a)-9-Chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-androsta-1,4-dien-3-one

Chemical structure of (11b,16a,17a)-9-Chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-androsta-1,4-dien-3-one, CAS 223776-49-6

AG00C2Z0

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CAS Number	223776-49-6
Catalog Number	AG00C2Z0(AGN-PC-0WOZ2Y)
Chemical Name	(11b,16a,17a)-9-Chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-androsta-1,4-dien-3-one
IUPAC Name	[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2,2-dioxo-5H-oxathiol-4-yl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
InChI	InChI=1S/C28H31ClO8S/c1-16-11-21-20-7-6-17-12-19(30)8-9-25(17,2)27(20,29)23(31)13-26(21,3)28(16,18-14-36-38(33,34)15-18)37-24(32)22-5-4-10-35-22/h4-5,8-10,12,15-16,20-21,23,31H,6-7,11,13-14H2,1-3H3/t16-,20+,21+,23+,25+,26+,27+,28+/m1/s1
InChI Key	CICBZJUKOHKGNN-YRGVOICOSA-N
MDL Number	MFCD28359028
Molecular Formula	C28H31ClO8S
Molecular Weight	563.0589
SMILES	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c5occc5)C6=CS(=O)(=O)OC6
Synonyms	223776-49-6, Mometasone Furoate Impurity B, (11beta,16alpha,17alpha)-9-Chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-androsta-1,4-dien-3-one;Mometasone Furoate Impurity B, Mometasone Furoate EP Impurity B, CICBZJUKOHKGNN-YRGVOICOSA-N,

Complexity	1280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	562.143g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	563.058g/mol
Monoisotopic Mass	562.143g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	129A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited