ML-246

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H30N4O
Molecular Weight	474.5961
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]1CC[C@@H](CC1)N2C=NC3=C(C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C2=N

InChI

InChIKey=WSMXAUJFLWRPNT-DIVCQZSQSA-N

InChI=1S/C31H30N4O/c32-30-28-27(23-12-6-2-7-13-23)29(24-14-8-3-9-15-24)34(20-22-10-4-1-5-11-22)31(28)33-21-35(30)25-16-18-26(36)19-17-25/h1-15,21,25-26,32,36H,16-20H2/t25-,26-

HIDE SMILES / InChI

Molecular Formula	C31H30N4O
Molecular Weight	474.5961
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 04:39:27 GMT 2025` Edited by `admin` on `Wed Apr 02 04:39:27 GMT 2025`
Record UNII	Q6A9F9DSX5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ML-246

Code

English

METARRESTIN

Preferred Name

English

TRANS-4-(4,7-DIHYDRO-4-IMINO-5,6-DIPHENYL-7-(PHENYLMETHYL)-3H-PYRROLO(2,3-D)PYRIMIDIN-3-YL)CYCLOHEXANOL

Systematic Name

English

CYCLOHEXANOL, 4-(4,7-DIHYDRO-4-IMINO-5,6-DIPHENYL-7-(PHENYLMETHYL)-3H-PYRROLO(2,3-D)PYRIMIDIN-3-YL)-, TRANS-

Systematic Name

English

Code System Code Type Description

FDA UNII

Q6A9F9DSX5

Created by admin on Wed Apr 02 04:39:27 GMT 2025 , Edited by admin on Wed Apr 02 04:39:27 GMT 2025

PRIMARY

NCI_THESAURUS

C168544

Created by admin on Wed Apr 02 04:39:27 GMT 2025 , Edited by admin on Wed Apr 02 04:39:27 GMT 2025

PRIMARY

CAS

1443414-10-5

Created by admin on Wed Apr 02 04:39:27 GMT 2025 , Edited by admin on Wed Apr 02 04:39:27 GMT 2025

PRIMARY

Related Record Type Details


					Q6A9F9DSX5

ML-246

ACTIVE MOIETY