4-CHLORO-11.BETA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-ESTRA-1,3,5(10)-TRIENE-3, 17.BETA.-DIOL

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

Structure Search

SMILES

CCN(CC)CCOC1=CC=C(C=C1)[C@H]2C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]4CCC5=C(Cl)C(O)=CC=C5[C@@H]24

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

Molecular Formula	C30H40ClNO3
Molecular Weight	498.097
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:15:25 GMT 2025` Edited by `admin` on `Mon Mar 31 18:15:25 GMT 2025`
Record UNII	UNA6OE48DO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 4-CHLORO-11-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-, (11.BETA.,17.BETA.)-

Preferred Name

English

4-CHLORO-11.BETA.-(4-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-ESTRA-1,3,5(10)-TRIENE-3, 17.BETA.-DIOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

66915712

Created by admin on Mon Mar 31 18:15:25 GMT 2025 , Edited by admin on Mon Mar 31 18:15:25 GMT 2025

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CAS

214140-47-3

Created by admin on Mon Mar 31 18:15:25 GMT 2025 , Edited by admin on Mon Mar 31 18:15:25 GMT 2025

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FDA UNII

UNA6OE48DO

Created by admin on Mon Mar 31 18:15:25 GMT 2025 , Edited by admin on Mon Mar 31 18:15:25 GMT 2025

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