ADAPROLOL MALEATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H39NO4.C4H4O4
Molecular Weight	545.6643
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.CC(C)NCC(O)COC1=CC=C(CC(=O)OCCC23CC4CC(CC(C4)C2)C3)C=C1

InChI

InChIKey=WEBILLRFBZTUIX-BTJKTKAUSA-N

InChI=1S/C26H39NO4.C4H4O4/c1-18(2)27-16-23(28)17-31-24-5-3-19(4-6-24)12-25(29)30-8-7-26-13-20-9-21(14-26)11-22(10-20)15-26;5-3(6)1-2-4(7)8/h3-6,18,20-23,27-28H,7-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula	C26H39NO4
Molecular Weight	429.5922
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 `Fri Dec 15 16:38:14 UTC 2023` Edited by `admin` on `Fri Dec 15 16:38:14 UTC 2023`
Record UNII	2I8RV6WL9A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ADAPROLOL MALEATE

Official Name

English

BENZENEACETIC ACID, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, 2-TRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YLETHYL ESTER, (±)-, (Z)-2-BUTENEDIOATE (1:1) (SALT)

Systematic Name

English

CDDD-2803

Code

English

ADAPROLOL MALEATE [USAN]

Common Name

English

(±)-2-(1-ADAMANTYL)ETHYL (P-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ACETATE, MALEATE (1:1) (SALT)

Systematic Name

English

HGP-2

Code

English

CDDD 2803

Code

English

HGP 2

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29576