BL-3677A

Details

Stereochemistry	UNKNOWN
Molecular Formula	C21H26N2O4.ClH
Molecular Weight	406.903
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@]12[C@H]3C[C@@H](OC(=O)C4=CC=CC=C4)[C@H](C3)[C@@]1([H])C(=O)N(CCCN(C)C)C2=O

InChI

InChIKey=VLXHAXKFZRKZJP-LHAFDSHPSA-N

InChI=1S/C21H26N2O4.ClH/c1-22(2)9-6-10-23-19(24)17-14-11-15(18(17)20(23)25)16(12-14)27-21(26)13-7-4-3-5-8-13;/h3-5,7-8,14-18H,6,9-12H2,1-2H3;1H/t14-,15+,16-,17+,18-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C21H26N2O4
Molecular Weight	370.4421
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
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 `Sat Dec 16 06:45:02 GMT 2023` Edited by `admin` on `Sat Dec 16 06:45:02 GMT 2023`
Record UNII	VWE67Z9UM6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BL-3677A

Common Name

English

4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, 5-(BENZOYLOXY)-2-(3-(DIMETHYLAMINO)PROPYL)HEXAHYDRO-, MONOHYDROCHLORIDE, (3AR,4R,5R,7R,7AS)-REL-(+)-

Systematic Name

English

4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, 5-(BENZOYLOXY)-2-(3-(DIMETHYLAMINO)PROPYL)HEXAHYDRO-, MONOHYDROCHLORIDE, (3A.ALPHA.,4.ALPHA.,5.BETA.,7.ALPHA.,7A.ALPHA.)-(+)-

Systematic Name

English

Code System Code Type Description

FDA UNII

VWE67Z9UM6

Created by admin on Sat Dec 16 06:45:02 GMT 2023 , Edited by admin on Sat Dec 16 06:45:02 GMT 2023

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EPA CompTox

DTXSID10967519

Created by admin on Sat Dec 16 06:45:02 GMT 2023 , Edited by admin on Sat Dec 16 06:45:02 GMT 2023

PRIMARY

PUBCHEM

191267

Created by admin on Sat Dec 16 06:45:02 GMT 2023 , Edited by admin on Sat Dec 16 06:45:02 GMT 2023

PRIMARY

CAS

53023-30-6

Created by admin on Sat Dec 16 06:45:02 GMT 2023 , Edited by admin on Sat Dec 16 06:45:02 GMT 2023

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