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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H39F3O8S
Molecular Weight 676.742
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUN-597

SMILES

C[C@]1([H])C[C@@]2([H])[C@]3([H])C[C@@]([H])(C4=CC(=O)C=C[C@]4(C)[C@]3([C@]([H])(C[C@]2(C)[C@]1(C(=O)SCC#CCOC(=O)CC(C)(C)F)OC(=O)c5ccco5)O)F)F

InChI

InChIKey=MUZXLBCSYZLBPO-APQFETTKSA-N
InChI=1S/C35H39F3O8S/c1-20-15-22-23-17-25(36)24-16-21(39)10-11-32(24,4)34(23,38)27(40)18-33(22,5)35(20,46-29(42)26-9-8-13-44-26)30(43)47-14-7-6-12-45-28(41)19-31(2,3)37/h8-11,13,16,20,22-23,25,27,40H,12,14-15,17-19H2,1-5H3/t20-,22+,23+,25+,27+,32+,33+,34+,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H39F3O8S
Molecular Weight 676.742
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:49:59 UTC 2021
Edited
by admin
on Sat Jun 26 07:49:59 UTC 2021
Record UNII
P789X65VWC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUN-597
Code English
S-597
Code English
SUN0597
Code English
S-(4-(3-FLUORO-3-METHYLBUTYRYLOXY)BUT-2-YNYL) 6A,9A-DIFLUORO-17A-(FURAN-2-YL)CARBONYLOXY-11 .BETA.-HYDROXY-16A-METHYL-3-OXOANDROSTA-1,4-DIENE-17 .BETA.-CARBOTHIOATE
Common Name English
SPARC-1316
Code English
ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-17-((2-FURANYLCARBONYL)OXY)-11-HYDROXY-16-METHYL-3-OXO-, S-(4-(3-FLUORO-3-METHYL-1-OXOBUTOXY)-2-BUTYN-1-YL) ESTER, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-
Common Name English
Code System Code Type Description
FDA UNII
P789X65VWC
Created by admin on Sat Jun 26 07:49:59 UTC 2021 , Edited by admin on Sat Jun 26 07:49:59 UTC 2021
PRIMARY
PUBCHEM
86291051
Created by admin on Sat Jun 26 07:49:59 UTC 2021 , Edited by admin on Sat Jun 26 07:49:59 UTC 2021
PRIMARY
CAS
1639397-97-9
Created by admin on Sat Jun 26 07:49:59 UTC 2021 , Edited by admin on Sat Jun 26 07:49:59 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> AGONIST
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ACTIVE MOIETY