3-hydroxy-13,17-seco-5-androsten-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate
Modify Date: 2025-09-20 06:23:58
3-hydroxy-13,17-seco-5-androsten-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate structure
|
Common Name | 3-hydroxy-13,17-seco-5-androsten-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate | ||
|---|---|---|---|---|
| CAS Number | 107480-21-7 | Molecular Weight | 589.63600 | |
| Density | 1.21g/cm3 | Boiling Point | 726.7ºC at 760 mmHg | |
| Molecular Formula | C33H46Cl2N2O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 393.3ºC | |
| Name | [(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.21g/cm3 |
|---|---|
| Boiling Point | 726.7ºC at 760 mmHg |
| Molecular Formula | C33H46Cl2N2O3 |
| Molecular Weight | 589.63600 |
| Flash Point | 393.3ºC |
| Exact Mass | 588.28900 |
| PSA | 62.13000 |
| LogP | 7.31240 |
| Vapour Pressure | 5.67E-21mmHg at 25°C |
| Index of Refraction | 1.582 |
| InChIKey | PBKHSKUCHZCYLT-AVMGXJNKSA-N |
| SMILES | CC12CCC3C(CC=C4CC(OC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CCC43C)C1CCC(=O)N2 |
|
~41%
3-hydroxy-13,17... CAS#:107480-21-7 |
| Literature: Pairas; Catsoulacos European Journal of Medicinal Chemistry, 1986 , vol. 21, # 6 p. 525 - 526 |
![8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-2-one structure](https://image.chemsrc.com/caspic/334/7680-15-1.png)
![γ-[p-N-Di(2-chloroethyl)aminophenyl]butyryl chloride structure](https://image.chemsrc.com/caspic/239/17981-81-6.png)
| Precursor 2 | |
|---|---|
| DownStream 0 | |
| Hael-chlorambucil |