BMS-505130

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H17N3.C4H4O4
Molecular Weight	355.3877
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CN(C)C[C@H]1C[C@@H]1C2=CNC3=C2C=C(C=C3)C#N

InChI

InChIKey=QYXJWBDKQAIHJM-ZMPXXIOZSA-N

InChI=1S/C15H17N3.C4H4O4/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15;5-3(6)1-2-4(7)8/h3-5,8,11-12,17H,6,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t11-,12+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C15H17N3
Molecular Weight	239.3156
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 `Sat Dec 16 09:23:12 GMT 2023` Edited by `admin` on `Sat Dec 16 09:23:12 GMT 2023`
Record UNII	E892TW82D9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-505130

Common Name

English

(+)-BMS-505130

Common Name

English

1H-INDOLE-5-CARBONITRILE, 3-((1S,2S)-2-((DIMETHYLAMINO)METHYL)CYCLOPROPYL)-, (2Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

E892TW82D9

Created by admin on Sat Dec 16 09:23:12 GMT 2023 , Edited by admin on Sat Dec 16 09:23:12 GMT 2023

PRIMARY

CAS

859230-84-5

Created by admin on Sat Dec 16 09:23:12 GMT 2023 , Edited by admin on Sat Dec 16 09:23:12 GMT 2023

PRIMARY

CAS

855297-38-0

Created by admin on Sat Dec 16 09:23:12 GMT 2023 , Edited by admin on Sat Dec 16 09:23:12 GMT 2023

SUPERSEDED

PUBCHEM

72941924

Created by admin on Sat Dec 16 09:23:12 GMT 2023 , Edited by admin on Sat Dec 16 09:23:12 GMT 2023

PRIMARY

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