Fulvestrant Impurity 3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H44O7S
Molecular Weight	548.731
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@H](CCCCCCCCCOS(C)(=O)=O)C(=O)C4=CC(O)=CC=C4[C@H]3CC[C@]12C

InChI

InChIKey=PPNZSZPRKBUZJE-GYKPOOFLSA-N

InChI=1S/C30H44O7S/c1-20(31)37-27-15-14-26-28-23(16-17-30(26,27)2)22-13-12-21(32)19-25(22)29(33)24(28)11-9-7-5-4-6-8-10-18-36-38(3,34)35/h12-13,19,23-24,26-28,32H,4-11,14-18H2,1-3H3/t23-,24+,26+,27+,28+,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H44O7S
Molecular Weight	548.731
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 `Wed Apr 02 17:21:44 GMT 2025` Edited by `admin` on `Wed Apr 02 17:21:44 GMT 2025`
Record UNII	X6V4DC94NR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(7?,17?)-17-(Acetyloxy)-3-hydroxy-7-[9-[(methylsulfonyl)oxy]nonyl]estra-1,3,5(10)-trien-6-one

Preferred Name

English

Fulvestrant Impurity 3

Common Name

English

Estra-1,3,5(10)-trien-6-one, 17-(acetyloxy)-3-hydroxy-7-[9-[(methylsulfonyl)oxy]nonyl]-, (7?,17?)-

Systematic Name

English

Code System Code Type Description

FDA UNII

X6V4DC94NR

Created by admin on Wed Apr 02 17:21:44 GMT 2025 , Edited by admin on Wed Apr 02 17:21:44 GMT 2025

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CAS

1621885-81-1

Created by admin on Wed Apr 02 17:21:44 GMT 2025 , Edited by admin on Wed Apr 02 17:21:44 GMT 2025

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