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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)-

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
  • Download
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
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