2-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-6-PHENYL-5-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-, 2-(HYDROGEN SULFATE), (5R,6S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H31NO5S
Molecular Weight	493.6166
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-6-PHENYL-5-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-, 2-(HYDROGEN SULFATE), (5R,6S)-

Structure Search

SMILES

c1ccc(cc1)[C@@]2([H])CCc3cc(ccc3[C@@]2([H])c4ccc(cc4)OCCN5CCCC5)OS(=O)(=O)O

InChI

InChIKey=NXQINUGCNDMKEW-IAPPQJPRSA-N

InChI=1S/C28H31NO5S/c30-35(31,32)34-25-13-15-27-23(20-25)10-14-26(21-6-2-1-3-7-21)28(27)22-8-11-24(12-9-22)33-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28H,4-5,10,14,16-19H2,(H,30,31,32)/t26-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H31NO5S
Molecular Weight	493.6166
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Jun 26 07:00:47 UTC 2021` Edited by `admin` on `Sat Jun 26 07:00:47 UTC 2021`
Record UNII	Z9K1Q76GZB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-6-PHENYL-5-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-, 2-(HYDROGEN SULFATE), (5R,6S)-

Systematic Name

English

LASOFOXIFENE METABOLITE M11

Common Name

English

Code System Code Type Description

FDA UNII

Z9K1Q76GZB

Created by admin on Sat Jun 26 07:00:47 UTC 2021 , Edited by admin on Sat Jun 26 07:00:47 UTC 2021

PRIMARY

PUBCHEM

71749754

Created by admin on Sat Jun 26 07:00:47 UTC 2021 , Edited by admin on Sat Jun 26 07:00:47 UTC 2021

PRIMARY

CAS

1048953-96-3

Created by admin on Sat Jun 26 07:00:47 UTC 2021 , Edited by admin on Sat Jun 26 07:00:47 UTC 2021

PRIMARY

Related Record Type Details


					337G83N988

LASOFOXIFENE

PARENT -> METABOLITE

Qualification:

FECAL

Amount: