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Substance Name: Photobiotin
RN: 96087-37-5
UNII: 53LXX17EV4
InChIKey: BRLRJZRHRJEWJY-JERZPMBSSA-N

Classification Codes

  • Affinity Labels
  • Indicators and Reagents

Molecular Formula

  • C23-H35-N9-O4-S

Molecular Weight

  • 533.654
 
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Names and Synonyms

Name of Substance

  • Photobiotin

Synonyms

  • N-(4-Azido-2-nitrophenyl)-N',N-biotinyl-3-aminopropyl-N'-methyl-1,3-propanediamine
  • UNII-53LXX17EV4

Systematic Name

  • 1H-Thieno(3,4-d)imidazole-4-pentanamide, N-(3-((3-((4-azido-2-nitrophenyl)amino)propyl)methylamino)propyl)hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-

Registry Numbers

CAS Registry Number

  • 96087-37-5

FDA UNII

  • 53LXX17EV4

System Generated Number

  • 0096087375

Structure Descriptors

InChI

1S/C23H35N9O4S/c1-31(12-4-10-25-17-9-8-16(29-30-24)14-19(17)32(35)36)13-5-11-26-21(33)7-3-2-6-20-22-18(15-37-20)27-23(34)28-22/h8-9,14,18,20,22,25H,2-7,10-13,15H2,1H3,(H,26,33)(H2,27,28,34)/t18-,20?,22-/m0/s1

InChIKey

BRLRJZRHRJEWJY-JERZPMBSSA-N

Smiles

[N+](c1cc(N=[N+]=[N-])ccc1NCCC[N@@](CCCNC(=O)CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1)C)([O-])=O