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Details

Stereochemistry RACEMIC
Molecular Formula C29H35NO2.ClH
Molecular Weight 466.055
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-Diethyl-2-[4-[(1R,2R)-1,2,3,4-tetrahydro-6-methoxy-2-phenyl-1-naphthalenyl]phenoxy]ethanamine, hydrochloride, rel-

SMILES

Cl.CCN(CC)CCOC1=CC=C(C=C1)[C@@H]2[C@H](CCC3=CC(OC)=CC=C23)C4=CC=CC=C4

InChI

InChIKey=WHAYGINZEIAVNI-ZHESDOBJSA-N
InChI=1S/C29H35NO2.ClH/c1-4-30(5-2)19-20-32-25-14-11-23(12-15-25)29-27(22-9-7-6-8-10-22)17-13-24-21-26(31-3)16-18-28(24)29;/h6-12,14-16,18,21,27,29H,4-5,13,17,19-20H2,1-3H3;1H/t27-,29-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C29H35NO2
Molecular Weight 429.5937
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:03:30 GMT 2023
Edited
by admin
on Sat Dec 16 10:03:30 GMT 2023
Record UNII
VCJ9TL5GPN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N-Diethyl-2-[4-[(1R,2R)-1,2,3,4-tetrahydro-6-methoxy-2-phenyl-1-naphthalenyl]phenoxy]ethanamine, hydrochloride, rel-
Systematic Name English
Ethanamine, N,N-diethyl-2-[4-(1,2,3,4-tetrahydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy]-, hydrochloride, trans-
Systematic Name English
Triethylamine, 2-[p-(1,2,3,4-tetrahydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy]-, hydrochloride, trans-
Systematic Name English
Code System Code Type Description
CAS
13073-58-0
Created by admin on Sat Dec 16 10:03:30 GMT 2023 , Edited by admin on Sat Dec 16 10:03:30 GMT 2023
PRIMARY
PUBCHEM
202658
Created by admin on Sat Dec 16 10:03:30 GMT 2023 , Edited by admin on Sat Dec 16 10:03:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID60156698
Created by admin on Sat Dec 16 10:03:30 GMT 2023 , Edited by admin on Sat Dec 16 10:03:30 GMT 2023
PRIMARY
FDA UNII
VCJ9TL5GPN
Created by admin on Sat Dec 16 10:03:30 GMT 2023 , Edited by admin on Sat Dec 16 10:03:30 GMT 2023
PRIMARY