PICUMETEROL FUMARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C21H29Cl2N3O2.C4H4O4
Molecular Weight	968.832
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.NC1=C(Cl)C=C(C=C1Cl)[C@@H](O)CNCCCCCCOCCC2=NC=CC=C2.NC3=C(Cl)C=C(C=C3Cl)[C@@H](O)CNCCCCCCOCCC4=NC=CC=C4

InChI

InChIKey=MZHXOYZUNRCUCP-MMSVOLSESA-N

InChI=1S/2C21H29Cl2N3O2.C4H4O4/c2*22-18-13-16(14-19(23)21(18)24)20(27)15-25-9-4-1-2-6-11-28-12-8-17-7-3-5-10-26-17;5-3(6)1-2-4(7)8/h2*3,5,7,10,13-14,20,25,27H,1-2,4,6,8-9,11-12,15,24H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*20-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C21H29Cl2N3O2
Molecular Weight	426.38
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

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 `Fri Dec 15 16:30:36 UTC 2023` Edited by `admin` on `Fri Dec 15 16:30:36 UTC 2023`
Record UNII	0SUN4UF93Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PICUMETEROL FUMARATE

Official Name

English

GR 114297A

Code

English

BENZENEMETHANOL, 4-AMINO-3,5-DICHLORO-.ALPHA.-(((6-(2-(2-PYRIDINYL)ETHOXY)HEXYL)AMINO)METHYL)-, (R)-, (E)-2-BUTENEDIOATE (2:1) (SALT)

Common Name

English

PICUMETEROL FUMARATE [USAN]

Common Name

English

GR-114297A

Code

English

(-)-(R)-4-AMINO-3,5-DICHLORO-.ALPHA.-(((6-(2-(2-PYRIDYL)ETHOXY)HEXYL)AMINO)METHYL)BENZYL ALCOHOL, FUMARATE (2:1) (SALT)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C48149