U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C38H54ClN3O10S
Molecular Weight 780.367
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DM-51

SMILES

[H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)C3=C(Cl)C(OC)=CC(C\C(C)=C\C=C\[C@@H](OC)[C@@]4(O)C[C@]([H])(OC(=O)N4)[C@H]2C)=C3)OC(=O)[C@H](C)N(C)C(=O)CCCCCS

InChI

InChIKey=VNWBDUCJQWNNMQ-INGDPBEKSA-N
InChI=1S/C38H54ClN3O10S/c1-22-13-12-14-29(49-8)38(47)21-28(50-36(46)40-38)23(2)34-37(4,52-34)30(51-35(45)24(3)41(5)31(43)15-10-9-11-16-53)20-32(44)42(6)26-18-25(17-22)19-27(48-7)33(26)39/h12-14,18-19,23-24,28-30,34,47,53H,9-11,15-17,20-21H2,1-8H3,(H,40,46)/b14-12+,22-13+/t23-,24+,28+,29-,30+,34+,37+,38+/m1/s1

HIDE SMILES / InChI

Molecular Formula C38H54ClN3O10S
Molecular Weight 780.367
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:53:23 GMT 2023
Edited
by admin
on Sat Dec 16 18:53:23 GMT 2023
Record UNII
WY62UXS3AY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DM-51
Code English
DM51
Code English
Code System Code Type Description
PUBCHEM
162623843
Created by admin on Sat Dec 16 18:53:23 GMT 2023 , Edited by admin on Sat Dec 16 18:53:23 GMT 2023
PRIMARY
CAS
2243689-64-5
Created by admin on Sat Dec 16 18:53:23 GMT 2023 , Edited by admin on Sat Dec 16 18:53:23 GMT 2023
PRIMARY
FDA UNII
WY62UXS3AY
Created by admin on Sat Dec 16 18:53:23 GMT 2023 , Edited by admin on Sat Dec 16 18:53:23 GMT 2023
PRIMARY