SUN-597

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H39F3O8S
Molecular Weight	676.74
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCC#CCOC(=O)CC(C)(C)F)[C@@]1(C)C[C@H](O)[C@@]4(F)[C@@]2([H])C[C@H](F)C5=CC(=O)C=C[C@]45C

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	676.74
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 Dec 16 15:10:58 GMT 2023` Edited by `admin` on `Sat Dec 16 15:10:58 GMT 2023`
Record UNII	P789X65VWC
Record Status	`Validated (UNII)`
Record Version

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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 Dec 16 15:10:58 GMT 2023 , Edited by admin on Sat Dec 16 15:10:58 GMT 2023

PRIMARY

PUBCHEM

86291051

Created by admin on Sat Dec 16 15:10:58 GMT 2023 , Edited by admin on Sat Dec 16 15:10:58 GMT 2023

PRIMARY

CAS

1639397-97-9

Created by admin on Sat Dec 16 15:10:58 GMT 2023 , Edited by admin on Sat Dec 16 15:10:58 GMT 2023

PRIMARY

SMS_ID

300000043981

Created by admin on Sat Dec 16 15:10:58 GMT 2023 , Edited by admin on Sat Dec 16 15:10:58 GMT 2023

PRIMARY

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ACTIVE MOIETY