OM 174

CAS Registry Number®

171092-39-0

CAS Name

OM 174

Molecular Formula

C52H100N2O20P2

Molecular Mass

1135.30

Cite this Page

OM 174.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=171092-39-0 (retrieved 2024-11-22) (CAS RN: 171092-39-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H100N2O20P2/c1-4-7-10-13-16-19-22-25-28-31-38(56)34-42(57)53-45-48(61)47(60)41(72-52(45)74-76(66,67)68)37-69-51-46(49(62)50(40(36-55)71-51)73-75(63,64)65)54-43(58)35-39(32-29-26-23-20-17-14-11-8-5-2)70-44(59)33-30-27-24-21-18-15-12-9-6-3/h38-41,45-52,55-56,60-62H,4-37H2,1-3H3,(H,53,57)(H,54,58)(H2,63,64,65)(H2,66,67,68)/t38-,39-,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-/m1/s1

InChIKey

InChIKey=GOWLTLODGKPXMN-MWJFIXGVSA-N

SMILES

O(C[C@H]1O[C@H](OP(=O)(O)O)[C@H](NC(C[C@@H](CCCCCCCCCCC)O)=O)[C@@H](O)[C@@H]1O)[C@H]2[C@H](NC(C[C@H](OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](CO)O2

Canonical SMILES

O=C(OC(CC(=O)NC1C(OCC2OC(OP(=O)(O)O)C(NC(=O)CC(O)CCCCCCCCCCC)C(O)C2O)OC(CO)C(OP(=O)(O)O)C1O)CCCCCCCCCCC)CCCCCCCCCCC

Other Names for this Substance

  • α-D-Glucopyranose, 2-deoxy-6-O-[2-deoxy-2-[[(3R)-1-oxo-3-[(1-oxododecyl)oxy]tetradecyl]amino]-4-O-phosphono-β-D-glucopyranosyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(dihydrogen phosphate)
  • α-D-Glucopyranose, 2-deoxy-6-O-[2-deoxy-2-[[1-oxo-3-[(1-oxododecyl)oxy]tetradecyl]amino]-4-O-phosphono-β-D-glucopyranosyl]-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 1-(dihydrogen phosphate), [2(R),6(R)]-
  • Defoslimod
  • OM 174

CAS INSIGHTSTM
Targeted protein degrader structure, illustration