Minopafant ion

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H73N4O9
Molecular Weight	826.0932
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

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=HGOAIWZFTWACBD-RRHRGVEJSA-O

InChI=1S/C46H72N4O9/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/p+1/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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:34:35 UTC 2023` Edited by `admin` on `Sat Dec 16 19:34:35 UTC 2023`
Record UNII	R382T79GF8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Minopafant ion

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]-

Systematic Name

English

Minopafant cation

Common Name

English

1-Ethyl-2-[[(2-methoxybenzoyl)[[(2R)-2-methoxy-3-[[[4-[[(octadecylamino)carbonyl]oxy]-1-piperidinyl]carbonyl]oxy]propoxy]carbonyl]amino]methyl]pyridinium

Systematic Name

English

Code System Code Type Description

PUBCHEM

130991

Created by admin on Sat Dec 16 19:34:35 UTC 2023 , Edited by admin on Sat Dec 16 19:34:35 UTC 2023

PRIMARY

FDA UNII

R382T79GF8

Created by admin on Sat Dec 16 19:34:35 UTC 2023 , Edited by admin on Sat Dec 16 19:34:35 UTC 2023

PRIMARY

CAS