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Substance Name: XR 808
RN: 167826-88-2
InChIKey: OBPQHZUVRTZNBQ-XAZDILKDSA-N

Molecular Formula

  • C31-H48-N2-O3

Molecular Weight

  • 496.7312
 
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Names and Synonyms

Results Name

  • XR 808

Synonym

  • XR808

Systematic Name

  • (4R-(4alpha,5alpha,6beta,7beta))-Hexahydro-5,6-dihydroxy-4,7-bis(2-ethylbutyl)-2H-1,3-diazepin-2-one

Registry Numbers

CAS Registry Number

  • 167826-88-2

System Generated Number

  • 0167826882

Structure Descriptors

InChI

1S/C31H48N2O3/c1-5-23(6-2)19-27-29(34)30(35)28(20-24(7-3)8-4)33(22-26-17-13-10-14-18-26)31(36)32(27)21-25-15-11-9-12-16-25/h9,11-13,15-18,23-24,27-30,34-35H,5-8,10,14,19-22H2,1-4H3/t27-,28-,29+,30+/m1/s1

InChIKey

OBPQHZUVRTZNBQ-XAZDILKDSA-N

Smiles

CCC(CC)C[C@@H]1[C@@H]([C@H]([C@H](N(C(=O)N1Cc2ccccc2)CC3=CCCC=C3)CC(CC)CC)O)O