BREVIANAMIDE E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H25N3O3
Molecular Weight	367.4415
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C=C)[C@@]12NC3=CC=CC=C3[C@]1(O)C[C@@H]4N2C(=O)[C@@H]5CCCN5C4=O

InChI

InChIKey=YAQYEBABECUWBT-AFMUBRCDSA-N

InChI=1S/C21H25N3O3/c1-4-19(2,3)21-20(27,13-8-5-6-9-14(13)22-21)12-16-17(25)23-11-7-10-15(23)18(26)24(16)21/h4-6,8-9,15-16,22,27H,1,7,10-12H2,2-3H3/t15-,16-,20+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H25N3O3
Molecular Weight	367.4415
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:10:00 GMT 2025` Edited by `admin` on `Mon Mar 31 19:10:00 GMT 2025`
Record UNII	CKM5RSM01T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BREVIANAMIDE E

Common Name

English

(5AS,6AR,11AS,13AS)-11A-(1,1-DIMETHYL-2-PROPEN-1-YL)-2,3,6,6A,11,11A-HEXAHYDRO-6A-HYDROXY-1H-PYRROLO(1'',2'':4',5')PYRAZINO(1',2':1,5)PYRROLO(2,3-B)INDOLE-5,13(5AH,13AH)-DIONE

Preferred Name

English

1H-PYRROLO(1'',2'':4',5')PYRAZINO(1',2':1,5)PYRROLO(2,3-B)INDOLE-5,13(5AH,13AH)-DIONE, 11A-(1,1-DIMETHYL-2-PROPEN-1-YL)-2,3,6,6A,11,11A-HEXAHYDRO-6A-HYDROXY-, (5AS,6AR,11AS,13AS)-

Systematic Name

English

1H-PYRROLO(1'',2'':4',5')PYRAZINO(1',2':1,5)PYRROLO(2,3-B)INDOLE-5,13(5AH,13AH)-DIONE, 11A-(1,1-DIMETHYL-2-PROPENYL)-2,3,6,6A,11,11A-HEXAHYDRO-6A-HYDROXY-, (5AS-(5A.ALPHA.,6A.BETA.,11A.BETA.,13A.ALPHA.))-

Systematic Name

English

Code System Code Type Description

FDA UNII

CKM5RSM01T

Created by admin on Mon Mar 31 19:10:00 GMT 2025 , Edited by admin on Mon Mar 31 19:10:00 GMT 2025

PRIMARY

PUBCHEM

185537

Created by admin on Mon Mar 31 19:10:00 GMT 2025 , Edited by admin on Mon Mar 31 19:10:00 GMT 2025

PRIMARY

CAS

23454-27-5

Created by admin on Mon Mar 31 19:10:00 GMT 2025 , Edited by admin on Mon Mar 31 19:10:00 GMT 2025

PRIMARY

EPA CompTox

DTXSID60946112

Created by admin on Mon Mar 31 19:10:00 GMT 2025 , Edited by admin on Mon Mar 31 19:10:00 GMT 2025

PRIMARY