SCH-602539

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H33N3O4
Molecular Weight	475.5793
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\C4=NC=C(C=C4)C5=NC=CC=C5)C1

InChI

InChIKey=IHWKYASJAJITBL-MSGZWQTISA-N

InChI=1S/C28H33N3O4/c1-3-34-28(33)31-21-10-11-22-19(14-21)15-24-26(17(2)35-27(24)32)23(22)12-9-20-8-7-18(16-30-20)25-6-4-5-13-29-25/h4-9,12-13,16-17,19,21-24,26H,3,10-11,14-15H2,1-2H3,(H,31,33)/b12-9+/t17-,19+,21-,22-,23+,24-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H33N3O4
Molecular Weight	475.5793
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:58:06 GMT 2025` Edited by `admin` on `Mon Mar 31 21:58:06 GMT 2025`
Record UNII	7467O90MW3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCH-602539

Common Name

English

SCH602539

Preferred Name

English

ETHYL ((1R,3AR,4AR,6R,8AR,9S,9AS)-9-((E)-2-(2,3'-BIPYRIDIN-6'-YL)VINYL)-1-METHYL-3-OXODODECAHYDRONAPHTHO(2,3-C)FURAN-6-YL)CARBAMATE

Systematic Name

English

CARBAMIC ACID, N-((1R,3AR,4AR,6R,8AR,9S,9AS)-9-((1E)-2-(2,3'-BIPYRIDIN)-6'-YLETHENYL)DODECAHYDRO-1-METHYL-3-OXONAPHTHO(2,3-C)FURAN-6-YL)-, ETHYL ESTER

Systematic Name

English

CARBAMIC ACID, ((1R,3AR,4AR,6R,8AR,9S,9AS)-9-((1E)-2-(2,3'-BIPYRIDIN)-6'-YLETHENYL)DODECAHYDRO-1-METHYL-3-OXONAPHTHO(2,3-C)FURAN-6-YL)-, ETHYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

7467O90MW3

Created by admin on Mon Mar 31 21:58:06 GMT 2025 , Edited by admin on Mon Mar 31 21:58:06 GMT 2025

PRIMARY

PUBCHEM

16214871

Created by admin on Mon Mar 31 21:58:06 GMT 2025 , Edited by admin on Mon Mar 31 21:58:06 GMT 2025

PRIMARY

EPA CompTox

DTXSID001352355

Created by admin on Mon Mar 31 21:58:06 GMT 2025 , Edited by admin on Mon Mar 31 21:58:06 GMT 2025

PRIMARY

CAS

618385-42-5

Created by admin on Mon Mar 31 21:58:06 GMT 2025 , Edited by admin on Mon Mar 31 21:58:06 GMT 2025

PRIMARY

Related Record Type Details


					7467O90MW3

SCH-602539

ACTIVE MOIETY