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Substance Name: 1-O-Hexadecyl-2-acetyl-3-thiophosphocholine
RN: 110786-03-3
InChIKey: WTHJKMQTIRLHSW-URAFEBPUSA-N

Molecular Formula

  • C26-H54-N-O6-P-S

Molecular Weight

  • 539.7536
 
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Names and Synonyms

Name of Substance

  • 1-O-Hexadecyl-2-acetyl-3-thiophosphocholine

Synonym

  • Agepsc

Systematic Name

  • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-mercapto-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (R-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 110786-03-3

System Generated Number

  • 0110786033

Structure Descriptors

InChI

1S/C26H54NO6PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-23-26(33-25(2)28)24-32-34(29,35)31-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-,34?/m1/s1

InChIKey

WTHJKMQTIRLHSW-URAFEBPUSA-N

Smiles

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(OCC[N+](C)(C)C)[S-])OC(=O)C