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Substance Name: Pafolacianine [USAN]
RN: 1628423-76-6
UNII: F7BD3Z4X8L
InChIKey: PDXNSXLPXJFETD-DYVQZXGMSA-N

Classification Codes

  • Diagnostic Uses of Chemicals
  • Intraoperative Imaging and Detection of Folate Receptor Positive Malignant Lesions
  • Molecular Probes

Molecular Formula

  • C61-H67-N9-O17-S4

Molecular Weight

  • 1326.5103
 
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Names and Synonyms

Name of Substance

  • OTL-0038
  • Pafolacianine [USAN]

Synonyms

  • OTL 0038
  • OTL 38
  • OTL-0038
  • OTL-38
  • OTL0038
  • OTL38
  • Pafolacianine
  • UNII-F7BD3Z4X8L
  • WHO 11569

Registry Numbers

CAS Registry Number

  • 1628423-76-6

FDA UNII

  • F7BD3Z4X8L

System Generated Number

  • 1628423766

Structure Descriptors

InChI

InChI=1S/C61H67N9O17S4/c1-60(2)46-33-44(90(81,82)83)22-24-49(46)69(28-5-7-30-88(75,76)77)51(60)26-16-38-10-9-11-39(17-27-52-61(3,4)47-34-45(91(84,85)86)23-25-50(47)70(52)29-6-8-31-89(78,79)80)54(38)87-43-20-12-37(13-21-43)32-48(58(73)74)66-56(71)40-14-18-41(19-15-40)63-35-42-36-64-55-53(65-42)57(72)68-59(62)67-55/h12-27,33-34,36,48H,5-11,28-32,35H2,1-4H3,(H9-,62,63,64,66,67,68,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86)/t48-/m0/s1

InChIKey

PDXNSXLPXJFETD-DYVQZXGMSA-N

Smiles

CC1(C)\C(=C/C=C/2\CCCC(=C2Oc3ccc(C[C@H](NC(=O)c4ccc(NCc5cnc6N=C(N)NC(=O)c6n5)cc4)C(=O)O)cc3)\C=C\C7=[N+](CCCCS(=O)(=O)O)c8ccc(cc8C7(C)C)S(=O)(=O)[O-])\N(CCCCS(=O)(=O)O)c9ccc(cc19)S(=O)(=O)O