(4As,4Br,6As,8S,10As,10Bs,12As)-10A,12A-Dimethyloctadecahydronaphtho[2,1-F]Quinolin-8-Yl {4-[Bis(2-Chloroethyl)Amino]Phenyl}Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C26H15Cl2N2O2
IUPAC Name [3-[(5z,10r)-4-[6-(dichloroamino)-4-methylene-hexa-2,5-diynoyl]oxy-9-prop-1-ynyl-10-bicyclo[8.1.0]undeca-5,7,8-trien-2-ynyl]-1-methylene-prop-2-ynyl]-methylidyne-ammonium
Molecular Mass 458.315 g·mol−1
Heat of Formation -601.6 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 676.98 Å 3
Surface Area 546.65 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
Synonyms
  • 17a-aza-d-homoandrostan-3-ol, 4-(bis(2-chloroethyl)amino)benzeneacetate (ester), (3-beta,5-alpha)-
  • 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(4as,4br,6as,8s,10as,10bs,12as)-10a,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[6,5-f]quinolin-8-yl] ester
  • 3-hydroxy-17-aza-d-homoandrostan-4-n,n-bis(2-chloroethyl)aminophenylacetate
  • [(4as,4br,6as,8s,10as,10bs,12as)-10a,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[6,5-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
  • [(4as,4br,6as,8s,10as,10bs,12as)-10a,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[6,5-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate
CAS Number(s)
  • 146678-51-5
InChIKey CPICDLRHHBTQBZ-ABKLYSGHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl