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Substance Name: Spiro(cyclohexane-1,2'-(2H)inden)-1'(3'H)-one, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, propanedioate (2:1) (salt)
RN: 65462-27-3
InChIKey: WSHITABQWCGABY-UHFFFAOYSA-N

Molecular Formula

  • C21-H31-N-O3.1/2C3-H4-O4

Molecular Weight

  • 795.0204
 
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Names and Synonyms

  • Spiro(cyclohexane-1,2'-(2H)inden)-1'(3'H)-one, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, propanedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 65462-27-3

Other Registry Number

  • 94750-74-0

System Generated Number

  • 0065462273

Molecular Formulas

Molecular Formula

  • C21-H31-N-O3.1/2C3-H4-O4

Molecular Formula Fragments

  • C21-H31-N-O3
  • C3-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C21H31NO3.C3H4O4/c2*1-20(2,3)22-13-16(23)14-25-17-8-10-21(11-9-17)12-15-6-4-5-7-18(15)19(21)24;4-2(5)1-3(6)7/h2*4-7,16-17,22-23H,8-14H2,1-3H3;1H2,(H,4,5)(H,6,7)

InChIKey

WSHITABQWCGABY-UHFFFAOYSA-N

Smiles

CC(C)(C)NCC(COC1CCC2(CC1)Cc3ccccc3C2=O)O.CC(C)(C)NCC(COC1CCC2(CC1)Cc3ccccc3C2=O)O.C(C(=O)O)C(=O)O