BI-135585 MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H32N2O4.H2O
Molecular Weight	478.58
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC(=O)N(C)C=C4

InChI

InChIKey=RYMUARXBHUNLAU-DZGIFAGBSA-N

InChI=1S/C28H32N2O4.H2O/c1-20(21-10-12-22(13-11-21)23-14-16-29(4)25(31)18-23)30-17-15-28(34-26(30)32,19-27(2,3)33)24-8-6-5-7-9-24;/h5-14,16,18,20,33H,15,17,19H2,1-4H3;1H2/t20-,28-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C28H32N2O4
Molecular Weight	460.5647
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:27:54 UTC 2023` Edited by `admin` on `Sat Dec 16 10:27:54 UTC 2023`
Record UNII	ZL5CN1S7OC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BI-135585 MONOHYDRATE

Common Name

English

(6S)-6-(2-HYDROXY-2-METHYL-PROPYL)-3-((1S)-1-(4-(1-METHYL-2-OXO-4-PYRIDYL)PHENYL)ETHYL)-6-PHENYL-1,3-OXAZINAN-2-ONE HYDRATE

Systematic Name

English

2H-1,3-OXAZIN-2-ONE, 3-((1S)-1-(4-(1,2-DIHYDRO-1-METHYL-2-OXO-4-PYRIDINYL)PHENYL)ETHYL)TETRAHYDRO-6-(2-HYDROXY-2-METHYLPROPYL)-6-PHENYL-, HYDRATE (1:1), (6S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

49803362

Created by admin on Sat Dec 16 10:27:55 UTC 2023 , Edited by admin on Sat Dec 16 10:27:55 UTC 2023

PRIMARY

CAS

1374032-89-9

Created by admin on Sat Dec 16 10:27:55 UTC 2023 , Edited by admin on Sat Dec 16 10:27:55 UTC 2023

PRIMARY

FDA UNII

ZL5CN1S7OC

Created by admin on Sat Dec 16 10:27:55 UTC 2023 , Edited by admin on Sat Dec 16 10:27:55 UTC 2023

PRIMARY

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Comments:

Originator: Boehringer Ingelheim, Vitae Pharmaceuticals; Developer: Boehringer Ingelheim; Class: Antihyperglycaemic, Small molecule; Mechanism of Action: 11-beta hydroxysteroid dehydrogenase type 1 inhibitor; Orphan Drug Status: No; On Fast track: No; New Molecular Entity: Yes; Highest Development Phase: Phase I for Type 2 diabetes mellitus; Most Recent Events: 22 Aug 2012 Boehringer Ingelheim initiates enrolment in a phase I trial in Healthy volunteers in Germany (NCT01652742), 01 Apr 2012 BI 135585 is still in phase I trials for Type-2 diabetes mellitus, 27 Jul 2011 Boehringer Ingelheim completes enrolment in its phase I trial for Type-2 diabetes mellitus in Germany (NCT01282970)