Benzeneacetic acid, α-hydroxy-, (αR)-, compd. with (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine (1:1)

CAS Registry Number®

79617-97-3

CAS Name

Benzeneacetic acid, α-hydroxy-, (αR)-, compd. with (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine (1:1)

Molecular Formula

C17H17Cl2N.C8H8O3

Molecular Mass

458.38

Cite this Page

Benzeneacetic acid, α-hydroxy-, (αR)-, compd. with (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79617-97-3 (retrieved 2025-04-23) (CAS RN: 79617-97-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H17Cl2N.C8H8O3/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;9-7(8(10)11)6-4-2-1-3-5-6/h2-6,8,10,12,17,20H,7,9H2,1H3;1-5,7,9H,(H,10,11)/t12-,17-;7-/m01/s1

InChIKey

InChIKey=PKXMFQSWZRRSRR-MELCVFKASA-N

SMILES

N(C)[C@@H]1C=2C([C@@H](CC1)C3=CC(Cl)=C(Cl)C=C3)=CC=CC2.[C@@H](C(O)=O)(O)C1=CC=CC=C1

Canonical SMILES

O=C(O)C(O)C=1C=CC=CC1.ClC1=CC=C(C=C1Cl)C2C=3C=CC=CC3C(NC)CC2

Other Names for this Substance

  • Benzeneacetic acid, α-hydroxy-, (αR)-, compd. with (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine (1:1)
  • Benzeneacetic acid, α-hydroxy-, (R)-, compd. with (1S-cis)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine (1:1)
  • 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, (1S-cis)-, (R)-α-hydroxybenzeneacetate
  • 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, (1S,4S)-, (αR)-α-hydroxybenzeneacetate

Deleted or Replaced CAS Registry Numbers

949116-59-0

CAS INSIGHTSTM
Illustration of microRNA (ribonucleic acid) molecules. MicroRNAs