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20111-60-8 | Testosterone, 4-[p-[bis(2-chloroethyl)amino]phenyl]butyrate (8CI)
CAS No: 20111-60-8 Catalog No: AG002D7R MDL No:
Product Description
Catalog Number:
AG002D7R
Chemical Name:
Testosterone, 4-[p-[bis(2-chloroethyl)amino]phenyl]butyrate (8CI)
CAS Number:
20111-60-8
Molecular Formula:
C33H45Cl2NO3
Molecular Weight:
574.6213
IUPAC Name:
(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
InChI:
InChI=1S/C33H45Cl2NO3/c1-32-16-14-26(37)22-24(32)8-11-27-28-12-13-30(33(28,2)17-15-29(27)32)39-31(38)5-3-4-23-6-9-25(10-7-23)36(20-18-34)21-19-35/h6-7,9-10,22,27-30H,3-5,8,11-21H2,1-2H3
InChI Key:
UDAHMGIBLNTUEJ-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)CCCC(=O)OC1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)CCCl
NSC Number:
115624
Properties
Complexity:
909
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
573.278g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
574.627g/mol
Monoisotopic Mass:
573.278g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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