1-PROPANAMINE, N-(1,1-DIMETHYLETHYL)-2,3-BIS((4-(4-MORPHOLINYL)-1,2,5-THIADIAZOL-3-YL)OXY)-, (2Z)-2-BUTENEDIOATE (1:1)

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H31N7O4S2.C4H4O4
Molecular Weight	601.696
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1-PROPANAMINE, N-(1,1-DIMETHYLETHYL)-2,3-BIS((4-(4-MORPHOLINYL)-1,2,5-THIADIAZOL-3-YL)OXY)-, (2Z)-2-BUTENEDIOATE (1:1)

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)OC3=NSN=C3N4CCOCC4

InChI

InChIKey=IZSXEVCWLMEJKJ-BTJKTKAUSA-N

InChI=1S/C19H31N7O4S2.C4H4O4/c1-19(2,3)20-12-14(30-18-16(22-32-24-18)26-6-10-28-11-7-26)13-29-17-15(21-31-23-17)25-4-8-27-9-5-25;5-3(6)1-2-4(7)8/h14,20H,4-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

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	C19H31N7O4S2
Molecular Weight	485.624
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:18:14 UTC 2023` Edited by `admin` on `Sat Dec 16 10:18:14 UTC 2023`
Record UNII	RV561JNW77
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-PROPANAMINE, N-(1,1-DIMETHYLETHYL)-2,3-BIS((4-(4-MORPHOLINYL)-1,2,5-THIADIAZOL-3-YL)OXY)-, (2Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

TIMOLOL RELATED COMPOUND C [USP-RS]

Common Name

English

TIMOLOL RELATED COMPOUND C [USP IMPURITY]

Common Name

English

N-(TERT-BUTYL)-2,3-BIS(4-MORPHOLINO-1,2,5-THIADIAZOL-3-YLOXY)PROPAN-1-AMINE MALEATE

Systematic Name

English

N-(1,1-DIMETHYLETHYL)-2,3-BIS((4-(4-MORPHOLINYL)-1,2,5-THIADIAZOL-3-YL)OXY)-1-PROPANAMINE (2Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

RS_ITEM_NUM

1667326

Created by admin on Sat Dec 16 10:18:14 UTC 2023 , Edited by admin on Sat Dec 16 10:18:14 UTC 2023

PRIMARY

CAS

610271-57-3

Created by admin on Sat Dec 16 10:18:14 UTC 2023 , Edited by admin on Sat Dec 16 10:18:14 UTC 2023

PRIMARY

PUBCHEM

146014927

Created by admin on Sat Dec 16 10:18:14 UTC 2023 , Edited by admin on Sat Dec 16 10:18:14 UTC 2023

PRIMARY

FDA UNII

RV561JNW77

Created by admin on Sat Dec 16 10:18:14 UTC 2023 , Edited by admin on Sat Dec 16 10:18:14 UTC 2023

PRIMARY

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TIMOLOL MALEATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: