Minopafant

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H73N4O9.Cl
Molecular Weight	861.546
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].CCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(CC1)C(=O)OC[C@H](COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)OC

InChI

InChIKey=IXRMFSBOHHRXSS-YPMTVOEDSA-N

InChI=1S/C46H72N4O9.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-47-44(52)59-39-29-33-49(34-30-39)45(53)57-36-40(55-3)37-58-46(54)50(35-38-26-23-25-32-48(38)6-2)43(51)41-27-21-22-28-42(41)56-4;/h21-23,25-28,32,39-40H,5-20,24,29-31,33-37H2,1-4H3;1H/t40-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C46H73N4O9
Molecular Weight	826.0932
Charge	1
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:49:05 UTC 2023` Edited by `admin` on `Fri Dec 15 18:49:05 UTC 2023`
Record UNII	I7J5MAD9ZU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Minopafant

Official Name

English

E5880

Code

English

minopafant [INN]

Common Name

English

Minopafant chloride

Common Name

English

E-5880

Code

English

Pyridinium, 1-ethyl-2-[[(2-methoxybenzoyl)[[(2R)-2-methoxy-3-[[[4-[[(octadecylamino)carbonyl]oxy]-1-piperidinyl]carbonyl]oxy]propoxy]carbonyl]amino]methyl]-, chloride

Systematic Name

English

MENOPAFANT

Common Name

English

Pyridinium, 1-ethyl-2-[[(2-methoxybenzoyl)[[(2R)-2-methoxy-3-[[[4-[[(octadecylamino)carbonyl]oxy]-1-piperidinyl]carbonyl]oxy]propoxy]carbonyl]amino]methyl]-, chloride (1:1)

Common Name

English

MENOPAFANT [JAN]

Common Name

English

Code System Code Type Description

CAS

128420-61-1