AG000P6V

119302-20-4 | Androstane-3,17-diol, 2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, (2β,3α,5α,16β,17β)-

AG000P6V

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CAS Number	119302-20-4
Catalog Number	AG000P6V(AGN-PC-0PD5RA)
Chemical Name	Androstane-3,17-diol, 2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, (2β,3α,5α,16β,17β)-
EC Number	601-595-5
IUPAC Name	(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
InChI	InChI=1S/C27H46N2O3/c1-26-8-7-20-19(21(26)16-22(25(26)31)28-9-3-4-10-28)6-5-18-15-24(30)23(17-27(18,20)2)29-11-13-32-14-12-29/h18-25,30-31H,3-17H2,1-2H3/t18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChI Key	YKHDYPFPUAWBIW-QJRNWJQSSA-N
MDL Number	MFCD09833551
Molecular Formula	C27H46N2O3
Molecular Weight	446.6657
SMILES	C[C@@]12[C@@H](O)[C@@H](N3CCCC3)C[C@@]1([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@@]4([H])CC2
Synonyms	119302-20-4, (2b,3a,5a,16b,17b)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol, YKHDYPFPUAWBIW-QJRNWJQSSA-N, PubChem15779, SCHEMBL3454056, CTK0H4941, Rocuronium Bromide EP Impurity G, ANW-53098, CM0015, MFCD09833551, ZINC84397763, AKOS015895261, AJ-80458, AX8030448, ST2414210, TC-141843, 302M204, Q-101012, (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2-morpholi, (2|A,3|A,5|A,16|A,17|A)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol, (2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol(9CI), 2beta-(4-morpholinyl)-16beta-(1-pyrrolidinyl)-5alpha-androstan-3alpha,17beta-diol, no-16-(pyrrolidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol, (2beta,3alpha,5alpha,16beta,17beta)-2(4-morpholinyl)-16-(1-pyrro lidinyl)-androstane-3,17-diol, (2beta,3alpha,5alpha,16beta,17beta)-2(4-morpholinyl)-16-(1-pyrrolidinyl)-androstane-3,17-diol, (2beta,3alpha,5alpha,16beta,17beta)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol, (2beta,3alpha,5alpha,16beta,17beta)-2-(4-morpholinyl)-16-(1pyrrolidinyl)-androstane-3,17-diol, (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2-morpholino-16-(pyrrolidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol, RW2443, ACN-048349, CB10112, EC 601-595-5, 2?-(morpholin-4-yl)-16?-(pyrrolidin-1-yl)-5?-androstane-3?,17?-diol, (2beta,3alpha,5alpha,16beta,17beta)-2-(Morpholin-4-yl)-16-(pyrrolidin-1-yl)androstane-3,17-diol, Androstane-3,17-diol, 2-(morpholin-4-yl)-16-(pyrrolidin-1-yl), (2beta,3alpha,5alpha,16beta,17beta)-,

Complexity	692
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	446.351g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	446.676g/mol
Monoisotopic Mass	446.351g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	56.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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