Home Halogens disodium (1S,10R,11S,14S,15S)-5-{[bis(2-chloroethyl)carbamoyl]oxy}-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-yl phosphate

disodium (1S,10R,11S,14S,15S)-5-{[bis(2-chloroethyl)carbamoyl]oxy}-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-yl phosphate

CAS No.:
2998-57-4
Catalog Number:
AG00BBV3
Molecular Formula:
C23H31Cl2NO3
Molecular Weight:
440.4031
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
96%(HPLC)
In Stock USA
United States
$68
- +
10mg
96%(HPLC)
In Stock USA
United States
$111
- +
25mg
96%(HPLC)
In Stock USA
United States
$201
- +
250mg
96%
In Stock USA
United States
$325
- +
1g
96%
In Stock USA
United States
$975
- +
Product Description
Catalog Number:
AG00BBV3
Chemical Name:
disodium (1S,10R,11S,14S,15S)-5-{[bis(2-chloroethyl)carbamoyl]oxy}-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-yl phosphate
CAS Number:
2998-57-4
Molecular Formula:
C23H31Cl2NO3
Molecular Weight:
440.4031
MDL Number:
MFCD00866377
IUPAC Name:
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate
InChI:
InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1
InChI Key:
FRPJXPJMRWBBIH-RBRWEJTLSA-N
SMILES:
ClCCN(C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)CCCl
EC Number:
221-076-3
UNII:
35LT29625A
NSC Number:
89201
Properties
Complexity:
585  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
439.168g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
440.405g/mol
Monoisotopic Mass:
439.168g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
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Impact of PSA flare-up in patients with hormone-refractory prostate cancer undergoing chemotherapy. International urology and nephrology 20080101
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Endobronchial metastasis from prostate cancer. International urology and nephrology 20080101
Comparison of three different chemotherapy regimens containing epirubicin in hormone-refractory prostate cancer patients. TheScientificWorldJournal 20080101
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Phase I trial of weekly paclitaxel plus oral estramustine phosphate in patients with hormone-refractory prostate cancer. Urology 20010701
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Phase II trial of neoadjuvant estramustine and etoposide plus radical prostatectomy for locally advanced prostate cancer. Urology 20010201
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Oral combination of cyclophosphamide, uracil plus tegafur and estramustine for hormone-refractory prostate cancer. Oncology 20010101
A reexamination of PSC 833 (Valspodar) as a cytotoxic agent and in combination with anticancer agents. Cancer chemotherapy and pharmacology 20010101
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Phase II study of estramustine, oral etoposide, and vinorelbine in hormone-refractory prostate cancer. American journal of clinical oncology 19970801
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