A-216546

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H48N2O6.ClH
Molecular Weight	569.173
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CC(C)(C)CCC)C(O)=O)C2=CC(OC)=C3OCOC3=C2

InChI

InChIKey=KMKKFZCVBRAWNX-KQQHTNMISA-N

InChI=1S/C30H48N2O6.ClH/c1-7-10-13-31(14-11-8-2)26(33)19-32-18-22(21-15-24(36-6)28-25(16-21)37-20-38-28)27(29(34)35)23(32)17-30(4,5)12-9-3;/h15-16,22-23,27H,7-14,17-20H2,1-6H3,(H,34,35);1H/t22-,23+,27-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C30H48N2O6
Molecular Weight	532.7119
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
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 `Mon Mar 31 22:14:42 GMT 2025` Edited by `admin` on `Mon Mar 31 22:14:42 GMT 2025`
Record UNII	T82925JPLC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

A-216546

Common Name

English

3-PYRROLIDINECARBOXYLIC ACID, 1-(2-(DIBUTYLAMINO)-2-OXOETHYL)-2-(2,2-DIMETHYLPENTYL)-4-(7-METHOXY-1,3-BENZODIOXOL-5-YL)-, HYDROCHLORIDE (1:1), (2S,3R,4S)-

Preferred Name

English

3-PYRROLIDINECARBOXYLIC ACID, 1-(2-(DIBUTYLAMINO)-2-OXOETHYL)-2-(2,2-DIMETHYLPENTYL)-4-(7-METHOXY-1,3-BENZODIOXOL-5-YL)-, MONOHYDROCHLORIDE, (2S,3R,4S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

T82925JPLC

Created by admin on Mon Mar 31 22:14:42 GMT 2025 , Edited by admin on Mon Mar 31 22:14:42 GMT 2025

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CAS

223756-43-2

Created by admin on Mon Mar 31 22:14:42 GMT 2025 , Edited by admin on Mon Mar 31 22:14:42 GMT 2025

PRIMARY

PUBCHEM

71587660

Created by admin on Mon Mar 31 22:14:42 GMT 2025 , Edited by admin on Mon Mar 31 22:14:42 GMT 2025

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