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Substance Name: NP 13 A
RN: 98677-34-0
InChIKey: NPZAJGUFIOUJJX-QEOQUJROSA-N

Molecular Formula

  • C23-H31-Cl-O5-S

Molecular Weight

  • 455.012
 
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Names and Synonyms

Name of Substance

  • NP 13 A

Synonyms

  • 10,10-Dimethyl-11-deoxy-7-thia-16-meta-chlorophenoxy-17,18,19,20-tetranol-prostaglandin E1
  • 10,10-Dmdtcpt-PGE1
  • NP-13-A

Systematic Name

  • Hexanoic acid, 6-((5-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,3-dimethyl-2-oxocyclopentyl)thio)-, (1R-(1alpha,5beta(1E,3R*)))-

Registry Numbers

CAS Registry Number

  • 98677-34-0

System Generated Number

  • 0098677340

Structure Descriptors

InChI

1S/C23H31ClO5S/c1-23(2)14-16(21(22(23)28)30-12-5-3-4-9-20(26)27)10-11-18(25)15-29-19-8-6-7-17(24)13-19/h6-8,10-11,13,16,18,21,25H,3-5,9,12,14-15H2,1-2H3,(H,26,27)/b11-10+/t16-,18+,21+/m0/s1

InChIKey

NPZAJGUFIOUJJX-QEOQUJROSA-N

Smiles

c1cc(OC[C@@H](\C=C\[C@@H]2[C@H](C(C(C2)(C)C)=O)SCCCCCC(O)=O)O)cc(Cl)c1