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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29Cl2NO3
Molecular Weight 438.387
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTROMUSTINE

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OC(=O)N(CCCl)CCCl)C=C4

InChI

InChIKey=AXWYROHIFVWHMR-UGTOYMOASA-N
InChI=1S/C23H29Cl2NO3/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/h3,5,14,18-20H,2,4,6-13H2,1H3/t18-,19-,20+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H29Cl2NO3
Molecular Weight 438.387
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:07:45 UTC 2023
Edited
by admin
on Sat Dec 16 15:07:45 UTC 2023
Record UNII
2081L03TME
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTROMUSTINE
Common Name English
LEO-271F
Code English
ESTRONE, BIS(2-CHLOROETHYL)CARBAMATE
Common Name English
ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-(((BIS(2-CHLOROETHYL)AMINO)CARBONYL)OXY)-
Systematic Name English
LEO-271
Code English
LS-271
Code English
Code System Code Type Description
PUBCHEM
124946
Created by admin on Sat Dec 16 15:07:45 UTC 2023 , Edited by admin on Sat Dec 16 15:07:45 UTC 2023
PRIMARY
FDA UNII
2081L03TME
Created by admin on Sat Dec 16 15:07:45 UTC 2023 , Edited by admin on Sat Dec 16 15:07:45 UTC 2023
PRIMARY
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE