2-Naphthalenesulfonic acid, compd. with [R-(R*,S*)]-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1), monohydrate

CAS Registry Number®

55557-30-7

CAS Name

2-Naphthalenesulfonic acid, compd. with [R-(R*,S*)]-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1), monohydrate

Molecular Formula

C22H29NO2.C10H8O3S.H2O

Cite this Page

2-Naphthalenesulfonic acid, compd. with [R-(R*,S*)]-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1), monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7247-77-0 (retrieved 2024-11-22) (CAS RN: 55557-30-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H29NO2.C10H8O3S.H2O/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13);1H2/t18-,22+;;/m0../s1

InChIKey

InChIKey=GBKONKCASNNUQD-ATVRCVQASA-N

SMILES

[C@](CC1=CC=CC=C1)([C@H](CN(C)C)C)(OC(CC)=O)C2=CC=CC=C2.S(=O)(=O)(O)C1=CC2=C(C=C1)C=CC=C2.O

Canonical SMILES

O=C(OC(C=1C=CC=CC1)(CC=2C=CC=CC2)C(C)CN(C)C)CC.O=S(=O)(O)C=1C=CC=2C=CC=CC2C1.O

Other Names for this Substance

  • 2-Naphthalenesulfonic acid, compd. with [R-(R*,S*)]-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1), monohydrate
  • Benzeneethanol, α-[2-(dimethylamino)-1-methylethyl]-α-phenyl-, propanoate (ester), [R-(R*,S*)]-, 2-naphthalenesulfonate (salt), monohydrate

Deleted or Replaced CAS Registry Numbers

5667-69-6, 7247-77-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration