O-1057

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H46N2O4.ClH
Molecular Weight	559.18
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)OC3=CC(=CC(OC(=O)CCCN4CCOCC4)=C23)C(C)(C)CCCCC#N

InChI

InChIKey=JNAWRSLZEOWZEI-JUJAXGASSA-N

InChI=1S/C32H46N2O4.ClH/c1-23-11-12-26-25(20-23)30-27(37-29(35)10-9-15-34-16-18-36-19-17-34)21-24(22-28(30)38-32(26,4)5)31(2,3)13-7-6-8-14-33;/h11,21-22,25-26H,6-10,12-13,15-20H2,1-5H3;1H/t25-,26-;/m1./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	C32H46N2O4
Molecular Weight	522.7186
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:37:37 GMT 2023` Edited by `admin` on `Sat Dec 16 08:37:37 GMT 2023`
Record UNII	Z2QC9N9MQK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-1057

Code

English

(6AR,10AR)-3-(6-CYANO-2-METHYLHEXAN-2-YL)-6,6,9-TRIMETHYL-6H,6AH,7H,10H,10AH-BENZO(C)ISOCHROMEN-1-YL 4-(MORPHOLIN-4-YL)BUTANOATE HYDROCHLORIDE

Systematic Name

English

4-MORPHOLINEBUTANOIC ACID, (6AR,10AR)-3-(5-CYANO-1,1-DIMETHYLPENTYL)-6A,7,10,10A-TETRAHYDRO-6,6,9-TRIMETHYL-6H-DIBENZO(B,D)PYRAN-1-YL ESTER, MONOHYDROCHLORIDE

Systematic Name

English

O1057

Code

English

4-MORPHOLINEBUTANOIC ACID, (6AR,10AR)-3-(5-CYANO-1,1-DIMETHYLPENTYL)-6A,7,10,10A-TETRAHYDRO-6,6,9-TRIMETHYL-6H-DIBENZO(B,D)PYRAN-1-YL ESTER, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

9829238

Created by admin on Sat Dec 16 08:37:37 GMT 2023 , Edited by admin on Sat Dec 16 08:37:37 GMT 2023

PRIMARY

FDA UNII

Z2QC9N9MQK

Created by admin on Sat Dec 16 08:37:37 GMT 2023 , Edited by admin on Sat Dec 16 08:37:37 GMT 2023

PRIMARY

CAS

216988-51-1

Created by admin on Sat Dec 16 08:37:37 GMT 2023 , Edited by admin on Sat Dec 16 08:37:37 GMT 2023

PRIMARY

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