ASPERLICIN E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H18N4O3
Molecular Weight	422.4354
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@]12C[C@@H]3N([C@H]1NC4=C2C=CC=C4)C(=O)C5=C(C=CC=C5)N6C(=O)C7=C(C=CC=C7)N=C36

InChI

InChIKey=HYHLSEUXMRFVND-AMDXRBSFSA-N

InChI=1S/C25H18N4O3/c30-22-14-7-1-4-10-17(14)26-21-20-13-25(32)16-9-3-5-11-18(16)27-24(25)29(20)23(31)15-8-2-6-12-19(15)28(21)22/h1-12,20,24,27,32H,13H2/t20-,24+,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H18N4O3
Molecular Weight	422.4354
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:20:19 GMT 2025` Edited by `admin` on `Mon Mar 31 22:20:19 GMT 2025`
Record UNII	LGN16HT207
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASPERLICIN E [MI]

Preferred Name

English

ASPERLICIN E

Common Name

English

11H-INDOLO(3',2':4,5)PYRROLO(2,1-C)QUINAZOLINO(3,2-A)(1,4)BENZODIAZEPINE-5,11(12AH)-DIONE, 13,17B,18,18A-TETRAHYDRO-17B-HYDROXY-, (12AR,17BS,18AS)-

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m2103