CI-1029

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H37NO4S
Molecular Weight	483.663
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@]2(CCC1=CC=C(N)C=C1)CC(O)=C(SC3=C(C=C(CO)C(C)=C3)C(C)(C)C)C(=O)O2

InChI

InChIKey=ZUBPKHVCBGWWGO-NDEPHWFRSA-N

InChI=1S/C28H37NO4S/c1-17(2)28(12-11-19-7-9-21(29)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-30)14-22(24)27(4,5)6/h7-10,13-14,17,30-31H,11-12,15-16,29H2,1-6H3/t28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H37NO4S
Molecular Weight	483.663
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:33:03 GMT 2023` Edited by `admin` on `Sat Dec 16 09:33:03 GMT 2023`
Record UNII	VDH375TRL9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CI-1029

Common Name

English

2H-PYRAN-2-ONE, 6-(2-(4-AMINOPHENYL)ETHYL)-3-((2-(1,1-DIMETHYLETHYL)-4-(HYDROXYMETHYL)-5-METHYLPHENYL)THIO)-5,6-DIHYDRO-4-HYDROXY-6-(1-METHYLETHYL)-, (6S)-

Systematic Name

English

(6S)-6-(2-(4-AMINOPHENYL)ETHYL)-3-((2-TERT-BUTYL-4-(HYDROXYMETHYL)-5-METHYLPHENYL)SULFANYL)-4-HYDROXY-6-(PROPAN-2-YL)-5,6-DIHYDRO-2H-PYRAN-2-ONE

Systematic Name

English

Code System Code Type Description

CAS

207736-05-8

Created by admin on Sat Dec 16 09:33:03 GMT 2023 , Edited by admin on Sat Dec 16 09:33:03 GMT 2023

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PUBCHEM

54687772

Created by admin on Sat Dec 16 09:33:03 GMT 2023 , Edited by admin on Sat Dec 16 09:33:03 GMT 2023

PRIMARY

EPA CompTox

DTXSID8047262

Created by admin on Sat Dec 16 09:33:03 GMT 2023 , Edited by admin on Sat Dec 16 09:33:03 GMT 2023

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FDA UNII

VDH375TRL9

Created by admin on Sat Dec 16 09:33:03 GMT 2023 , Edited by admin on Sat Dec 16 09:33:03 GMT 2023

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Related Record Type Details


					VDH375TRL9

CI-1029

ACTIVE MOIETY