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Estradiol mustard

Molecular FormulaC₄₂H₅₀Cl₄N₂O₄
Average mass788.669 Da
Monoisotopic mass786.252441 Da
ChemSpider ID29294

- 5 of 5 defined stereocentres

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Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Oestradiol mustard

(17β)-Estra-1(10),2,4-trien-3,17-diyl-bis({4-[bis(2-chlorethyl)amino]phenyl}acetat) [German] [ACD/IUPAC Name]

(17β)-Estra-1(10),2,4-triene-3,17-diyl bis({4-[bis(2-chloroethyl)amino]phenyl}acetate) [ACD/IUPAC Name]

22966-79-6 [RN]

Benzeneacetic acid, 4-[bis(2-chloroethyl)amino]-, (17β)-estra-1(10),2,4-triene-3,17-diyl ester [ACD/Index Name]

benzeneacetic acid, 4-[bis(2-chloroethyl)amino]-, (17β)-estra-1,3,5(10)-triene-3,17-diyl ester

Bis({4-[bis(2-chloroéthyl)amino]phényl}acétate) de (17β)-estra-1(10),2,4-triène-3,17-diyle [French] [ACD/IUPAC Name]

Estra-1,3,5(10)-triene-3,17-diol (17Î²)-, 3,17-bis[4-[bis(2-chloroethyl)amino]benzeneacetate]

Estradiol mustard [Wiki]

Estradiol-3,17β-bis[[p-[bis(2-chloroethyl)amino]phenyl]acetate]

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GEO3F3A4K1

UNII:GEO3F3A4K1

[(8R,9S,13S,14S,17S)-3-[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate

17b-Estradiol, bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)

17b-Estradiol, bis[[p-[bis(2-chloroethyl)amino]phenyl]acetate]

bis((4-(bis(2-chloroethyl)amino)benzene)acetate)estra 1,3,5(10) triene-3,17-diol(17β)

Bis((4-(bis(2-chloroethyl)amino)benzene)acetate)estra-1,3,5(10)-triene-3,17-diol(17β)

Bis((4-(bis(2-chloroethyl)amino)benzene)acetate)oestra-1,3,5(10)-triene-3,17-diol(17β)

bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)estra-1,3,5(10)-triene-3,17β-diol

Bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)estra-1,3,5(10)-triene-3,17-β-diol

Bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)estradiol

Bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)oestradiol

Bis((p-bis(2-chloroethyl)aminophenyl)acetate)oestra-1,3,5(10)-triene-3,17-β-diol

BIS(4-(BIS(2-CHLOROETHYL)AMINO)BENZENEACETATE)E*

Estra-1,3, 5[10]-triene-3,17b-diol, bis[[p-[bis(2-chloroethyl)amino]phenyl]acetate]

Estra-1,3,5 (10)-triene-3,17-diol (17β)-, bis[4-[bis(2-chloroethyl)amino]benzeneacetate]

Estra-1,3,5(10)-triene-3,17-diol (17β)-, bis(4-(bis(2-chloroethyl)amino)benzeneacetate) (9CI)

Estra-1,3,5(10)-triene-3,17-diol (17β)-, bis[4-[bis(2-chloroethyl)amino]benzeneacetate]

Estra-1,3,5(10)-triene-3,17-β-diol, bis(p-(bis(2-chloroethylamino)phenyl)acetate)

estra-1,3,5(10)-triene-3,17β-diol, bis(p-(bis(2-chloroethylamino)-phenyl)acetate).

Estra-1,3,5[10]-triene-3,17b-diol, bis[[p-[bis(2-chloroethyl)amino]phenyl]acetate]

Estradiol bis[4-[bis(2-chloroethyl)amino]benzeneacetate]

Estradiol, bis((p-(bis(2-chloroethyl)amino)phenyl)acetate) (8CI)

Estradiol, bis[[p-[bis (2-chloroethyl)amino]phenyl]acetate]

Estradiol, bis[[p-[bis(2-chloroethyl)amino]phenyl]acetate]

Estradiol, diester with [p-[bis(2-chloroethyl)amino]phenyl]acetic acid

Estradiol-3, 17β-bis[[p-[bis(2-chloroethyl)amino]phenyl]acetate]

p-(N,N-Bis(2-chloroethyl)amino)phenylacetic acid 17-β-estradiol diester

UNII-GEO3F3A4K1

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-52864 [DBID]

CCRIS 283 [DBID]

HSDB 7075 [DBID]

NCI-C01570 [DBID]

NSC 112259 [DBID]

NSC112259 [DBID]

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.3±0.1 g/cm³
Boiling Point:	850.8±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization:	123.6±3.0 kJ/mol
Flash Point:	468.3±34.3 °C
Index of Refraction:	1.618
Molar Refractivity:	211.9±0.4 cm³
#H bond acceptors:	6
#H bond donors:	0
#Freely Rotating Bonds:	18
#Rule of 5 Violations:	2

ACD/LogP:	10.00
ACD/LogD (pH 5.5):	9.04
ACD/BCF (pH 5.5):	1000000.00
ACD/KOC (pH 5.5):	1879144.25
ACD/LogD (pH 7.4):	9.08
ACD/BCF (pH 7.4):	1000000.00
ACD/KOC (pH 7.4):	2072627.13
Polar Surface Area:	59 Å²
Polarizability:	84.0±0.5 10^-24cm³
Surface Tension:	57.5±5.0 dyne/cm
Molar Volume:	604.7±5.0 cm³

Click to predict properties on the Chemicalize site

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Estradiol mustard

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