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Details

Stereochemistry MIXED
Molecular Formula C25H37NO5
Molecular Weight 431.565
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-HYDROXYSALMETEROL

SMILES

OCC1=CC(=CC=C1O)C(O)CNCCCCCCOCCCC(O)C2=CC=CC=C2

InChI

InChIKey=PGRMEHUQIPZHKM-UHFFFAOYSA-N
InChI=1S/C25H37NO5/c27-19-22-17-21(12-13-24(22)29)25(30)18-26-14-6-1-2-7-15-31-16-8-11-23(28)20-9-4-3-5-10-20/h3-5,9-10,12-13,17,23,25-30H,1-2,6-8,11,14-16,18-19H2

HIDE SMILES / InChI

Molecular Formula C25H37NO5
Molecular Weight 431.565
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:41:35 GMT 2023
Edited
by admin
on Sat Dec 16 18:41:35 GMT 2023
Record UNII
VN3K2MKQ9C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-HYDROXYSALMETEROL
Common Name English
1,3-BENZENEDIMETHANOL, 4-HYDROXY-.ALPHA.1-(((6-(4-HYDROXY-4-PHENYLBUTOXY)HEXYL)AMINO)METHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
VN3K2MKQ9C
Created by admin on Sat Dec 16 18:41:36 GMT 2023 , Edited by admin on Sat Dec 16 18:41:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID00934492
Created by admin on Sat Dec 16 18:41:36 GMT 2023 , Edited by admin on Sat Dec 16 18:41:36 GMT 2023
PRIMARY
CAS
152405-02-2
Created by admin on Sat Dec 16 18:41:36 GMT 2023 , Edited by admin on Sat Dec 16 18:41:36 GMT 2023
PRIMARY
PUBCHEM
197627
Created by admin on Sat Dec 16 18:41:36 GMT 2023 , Edited by admin on Sat Dec 16 18:41:36 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE