MDL-108207DA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H49N5O5.2ClH
Molecular Weight	728.748
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.CCOCCN1C(=NC2=C1C=CC=C2)N3CCCN(CC[C@@]4(CCN(C4)C(=O)C5=CC(OC)=C(OC)C(OC)=C5)C6=CC=CC=C6)CC3

InChI

InChIKey=ZYUCSTGXBXRNPG-ZCLNGFLVSA-N

InChI=1S/C38H49N5O5.2ClH/c1-5-48-25-24-43-32-15-10-9-14-31(32)39-37(43)41-19-11-18-40(22-23-41)20-16-38(30-12-7-6-8-13-30)17-21-42(28-38)36(44)29-26-33(45-2)35(47-4)34(27-29)46-3;;/h6-10,12-15,26-27H,5,11,16-25,28H2,1-4H3;2*1H/t38-;;/m0../s1

HIDE SMILES / InChI

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

Molecular Formula	C38H49N5O5
Molecular Weight	655.8262
Charge	0
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 `Mon Mar 31 22:45:23 GMT 2025` Edited by `admin` on `Mon Mar 31 22:45:23 GMT 2025`
Record UNII	L8LG7Q7HZE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-MDL-108207DA

Preferred Name

English

MDL-108207DA

Code

English

METHANONE, ((3R)-3-(2-(4-(1-(2-ETHOXYETHYL)-1H-BENZIMIDAZOL-2-YL)HEXAHYDRO-1H-1,4-DIAZEPIN-1-YL)ETHYL)-3-PHENYL-1-PYRROLIDINYL)(3,4,5-TRIMETHOXYPHENYL)-, HYDROCHLORIDE (1:2)

Systematic Name

English

PYRROLIDINE, 3-(2-(4-(1-(2-ETHOXYETHYL)-1H-BENZIMIDAZOL-2-YL)HEXAHYDRO-1H-1,4-DIAZEPIN-1-YL)ETHYL)-3-PHENYL-1-(3,4,5-TRIMETHOXYBENZOYL)-, DIHYDROCHLORIDE, (R)-

Systematic Name

English

MDL108207DA

Code

English

Code System Code Type Description

PUBCHEM

156613873

Created by admin on Mon Mar 31 22:45:23 GMT 2025 , Edited by admin on Mon Mar 31 22:45:23 GMT 2025

PRIMARY

CAS

205067-68-1

Created by admin on Mon Mar 31 22:45:23 GMT 2025 , Edited by admin on Mon Mar 31 22:45:23 GMT 2025

PRIMARY

FDA UNII

L8LG7Q7HZE

Created by admin on Mon Mar 31 22:45:23 GMT 2025 , Edited by admin on Mon Mar 31 22:45:23 GMT 2025

PRIMARY

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