ORG-2305

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H20N2.C4H4O4
Molecular Weight	380.437
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CN1CCC2N(C1)C3=C(CC4=C2C=CC=C4)C=CC=C3

InChI

InChIKey=GUJPQBJNGCYMEC-WLHGVMLRSA-N

InChI=1S/C18H20N2.C4H4O4/c1-19-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)20(18)13-19;5-3(6)1-2-4(7)8/h2-9,18H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula	C18H20N2
Molecular Weight	264.3648
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:53:44 GMT 2023` Edited by `admin` on `Sat Dec 16 11:53:44 GMT 2023`
Record UNII	6WW856ENR9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ORG-2305

Common Name

English

ORG-2305, (±)-

Code

English

DIBENZO(C,F)PYRIMIDO(1,6-A)AZEPINE, 1,2,3,4,4A,9-HEXAHYDRO-2-METHYL-, (2E)-2-BUTENEDIOATE

Systematic Name

English

Code System Code Type Description

FDA UNII

6WW856ENR9

Created by admin on Sat Dec 16 11:53:44 GMT 2023 , Edited by admin on Sat Dec 16 11:53:44 GMT 2023

PRIMARY

CAS

53245-51-5

Created by admin on Sat Dec 16 11:53:44 GMT 2023 , Edited by admin on Sat Dec 16 11:53:44 GMT 2023

PRIMARY

PUBCHEM

44147908

Created by admin on Sat Dec 16 11:53:44 GMT 2023 , Edited by admin on Sat Dec 16 11:53:44 GMT 2023

PRIMARY

Related Record Type Details


					E8RL297C2U

ORG-2305 FREE BASE

PARENT -> SALT/SOLVATE


					88XHZ13131

Fumaric acid

PARENT -> SALT/SOLVATE