200,000+ products from a single source!
sales@angenechem.com
21003-16-7 | Estra-1,3,5(10)-trien-17-one, 2-[bis(2-chloroethyl)amino]-3-methoxy- (8CI)
CAS No: 21003-16-7 Catalog No: AG002KJ4 MDL No:
Product Description
Catalog Number:
AG002KJ4
Chemical Name:
Estra-1,3,5(10)-trien-17-one, 2-[bis(2-chloroethyl)amino]-3-methoxy- (8CI)
CAS Number:
21003-16-7
Molecular Formula:
C23H31Cl2NO2
Molecular Weight:
424.4037
IUPAC Name:
(8R,9S,13S,14S)-2-[bis(2-chloroethyl)amino]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C23H31Cl2NO2/c1-23-8-7-16-17(19(23)5-6-22(23)27)4-3-15-13-21(28-2)20(14-18(15)16)26(11-9-24)12-10-25/h13-14,16-17,19H,3-12H2,1-2H3/t16-,17+,19-,23-/m0/s1
InChI Key:
IVRBDAXIXVJRCO-ZQYRFBGISA-N
SMILES:
ClCCN(c1cc2c(cc1OC)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)CCCl
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
423.173g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.406g/mol
Monoisotopic Mass:
423.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.