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Substance Name: N-(4-Iodophenyl)pregnenolone 3-carbamate
RN: 124824-12-0
InChIKey: NVKBMJWRJHYUAC-PUWKGJKWSA-N

Note

  • Potential tumor or organ imaging agent.

Molecular Formula

  • C28-H36-I-N-O3

Molecular Weight

  • 561.496
 
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Names and Synonyms

Name of Substance

  • N-(4-Iodophenyl)pregnenolone 3-carbamate

Synonyms

  • (3beta)-3-((((4-Iodophenyl)amino)carbonyl)oxy)pregn-5-en-20-one
  • 4-Ippc

Systematic Name

  • Pregn-5-en-20-one, 3-((((4-iodophenyl)amino)carbonyl)oxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 124824-12-0

System Generated Number

  • 0124824120

Structure Descriptors

InChI

1S/C28H36INO3/c1-17(31)23-10-11-24-22-9-4-18-16-21(33-26(32)30-20-7-5-19(29)6-8-20)12-14-27(18,2)25(22)13-15-28(23,24)3/h4-8,21-25H,9-16H2,1-3H3,(H,30,32)/t21-,22-,23+,24-,25-,27-,28+/m0/s1

InChIKey

NVKBMJWRJHYUAC-PUWKGJKWSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)OC(=O)Nc1ccc(cc1)I