BRASOFENSINE MALEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H20Cl2N2O.C4H4O4
Molecular Weight	443.321
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CO\N=C\[C@H]1[C@H]2CC[C@@H](C[C@@H]1C3=CC(Cl)=C(Cl)C=C3)N2C

InChI

InChIKey=XVXRAWKEYKMWFS-YGPNHCCBSA-N

InChI=1S/C16H20Cl2N2O.C4H4O4/c1-20-11-4-6-16(20)13(9-19-21-2)12(8-11)10-3-5-14(17)15(18)7-10;5-3(6)1-2-4(7)8/h3,5,7,9,11-13,16H,4,6,8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b19-9+;2-1-/t11-,12+,13+,16+;/m0./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	C16H20Cl2N2O
Molecular Weight	327.249
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:09:58 UTC 2023` Edited by `admin` on `Fri Dec 15 16:09:58 UTC 2023`
Record UNII	S35880HLHZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BRASOFENSINE MALEATE

Official Name

English

NS-2214

Code

English

NS 2214

Code

English

3β-(3,4-Dichlorophenyl)-1αH,5αH-tropane-2α-carboxaldehyde (E)-(O-methyloxime), maleate (1:1)

Common Name

English

BMS-204756-07

Code

English

(1R-(2-ENDO,3-EXO))-3-(3,4-DICHLOROPHENYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXALDEHYDE O-METHYLOXIME, (Z)-2-BUTENEDIOATE (1:1)

Common Name

English

BRASOFENSINE MALEATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C38149