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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H40ClNO3
Molecular Weight 498.097
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLORO-11.BETA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-ESTRA-1,3,5(10)-TRIENE-3, 17.BETA.-DIOL

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)C[C@H](C3=CC=C(OCCN(CC)CC)C=C3)[C@]4([H])C5=C(CC[C@@]24[H])C(Cl)=C(O)C=C5

InChI

InChIKey=JNKQAHJZAUFSLB-BAWYVGMJSA-N
InChI=1S/C30H40ClNO3/c1-4-32(5-2)16-17-35-20-8-6-19(7-9-20)24-18-30(3)25(13-15-27(30)34)23-11-10-22-21(28(23)24)12-14-26(33)29(22)31/h6-9,12,14,23-25,27-28,33-34H,4-5,10-11,13,15-18H2,1-3H3/t23-,24+,25-,27-,28+,30-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-CHLORO-11.BETA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-ESTRA-1,3,5(10)-TRIENE-3, 17.BETA.-DIOL
Systematic Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 4-CHLORO-11-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-, (11.BETA.,17.BETA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
66915712
Created by admin on Fri Dec 15 15:59:08 GMT 2023 , Edited by admin on Fri Dec 15 15:59:08 GMT 2023
PRIMARY
CAS
214140-47-3
Created by admin on Fri Dec 15 15:59:08 GMT 2023 , Edited by admin on Fri Dec 15 15:59:08 GMT 2023
PRIMARY
FDA UNII
UNA6OE48DO
Created by admin on Fri Dec 15 15:59:08 GMT 2023 , Edited by admin on Fri Dec 15 15:59:08 GMT 2023
PRIMARY