Cas no 139264-35-0 (N-Desmethyl zolmitriptan)

N-Desmethyl zolmitriptan structure
N-Desmethyl zolmitriptan structure
Product Name:N-Desmethyl zolmitriptan
CAS No:139264-35-0
MF:C15H19N3O2
MW:273.330263376236
CID:182765
PubChem ID:178536
Update Time:2025-04-19

N-Desmethyl zolmitriptan Chemical and Physical Properties

Names and Identifiers

    • N-Desmethyl zolmitriptan
    • Zolmitriptan Related Compound A
    • N-DESMETHYL ZOLMITRIPTAN HCL
    • 2-Oxazolidinone,4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-
    • (S)-4-({3-[2-(Methylamino)ethyl]-1H-indol-5-yl}methyl)oxazolidin-2-one
    • 183C91
    • SCHEMBL7817210
    • J-007258
    • (4S)-4-({3-[2-(METHYLAMINO)ETHYL]-1H-INDOL-5-YL}METHYL)-1,3-OXAZOLIDIN-2-ONE
    • Q27291183
    • (4S)-4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
    • (4S)-4-[[3-[2-(Methylamino)ethyl]-1H-indol-5-yl]methyl-2-oxazolidinone
    • 4-({3-[2-(Methylamino)ethyl]-1H-indol-5-yl}methyl)-4,5-dihydro-1,3-oxazol-2-ol
    • ZOLMITRIPTAN IMPURITY G [EP IMPURITY]
    • 2-OXAZOLIDINONE, 4-((3-(2-(METHYLAMINO)ETHYL)-1H-INDOL-5-YL)METHYL)-, (4S)-
    • 139264-35-0
    • 2-Oxazolidinone, 4-((3-(2-(methylamino)ethyl)-1H-indol-5-yl)methyl)-, (S)-
    • (S)-4-((3-(2-(METHYLAMINO)ETHYL)-1H-INDOL-5-YL(METHYL)OXAZOLIDIN-2-ONE
    • UNII-UP93V5RS6K
    • 2-Oxazolidinone, 4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-
    • UP93V5RS6K
    • NS00116129
    • AKOS040755021
    • DTXSID00930414
    • (4S)-4-[[3-(2-methylaminoethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
    • ZOLMITRIPTAN IMPURITY G (EP IMPURITY)
    • DB-257786
    • (4S)-4-[[3-[2-(Methylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone; 2-Oxazolidinone, 4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-, (S)-; 183C91; Zolmitriptan Related Compound A (USP)
    • Inchi: 1S/C15H19N3O2/c1-16-5-4-11-8-17-14-3-2-10(7-13(11)14)6-12-9-20-15(19)18-12/h2-3,7-8,12,16-17H,4-6,9H2,1H3,(H,18,19)/t12-/m0/s1
    • InChI Key: QGGCHSMZXKNGCK-LBPRGKRZSA-N
    • SMILES: O1C(N[C@H](C1)CC1C=CC2=C(C=1)C(=CN2)CCNC)=O

Computed Properties

  • Exact Mass: 309.12400
  • Monoisotopic Mass: 273.147726857g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 350
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 66.2?2

Experimental Properties

  • Density: 1.235±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 63-66°C
  • Solubility: Slightly soluble (1.1 g/l) (25 o C),
  • PSA: 66.15000
  • LogP: 3.10240

N-Desmethyl zolmitriptan Security Information

  • Hazardous Material transportation number:NONH for all modes of transport

N-Desmethyl zolmitriptan Pricemore >>

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