SP-111A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H43NO4.BrH
Molecular Weight	550.568
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Br.[H][C@@]12CCC(C)=C[C@@]1([H])C3=C(OC(=O)CCCN4CCOCC4)C=C(CCCCC)C=C3OC2(C)C

InChI

InChIKey=YDHCWULNIWLAMF-BNUOYOMZSA-N

InChI=1S/C29H43NO4.BrH/c1-5-6-7-9-22-19-25(33-27(31)10-8-13-30-14-16-32-17-15-30)28-23-18-21(2)11-12-24(23)29(3,4)34-26(28)20-22;/h18-20,23-24H,5-17H2,1-4H3;1H/t23-,24-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C29H43NO4
Molecular Weight	469.656
Charge	0
Count

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

Molecular Formula	BrH
Molecular Weight	80.912
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 08:23:59 GMT 2023` Edited by `admin` on `Sat Dec 16 08:23:59 GMT 2023`
Record UNII	R2CXA5AV9V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SP-111A

Code

English

4-Morpholinebutanoic acid, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl ester, hydrobromide, (6aR-trans)-

Common Name

English

4-Morpholinebutanoic acid, (6aR,10aR)-6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl ester, hydrobromide

Common Name

English

6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-yl 4-(morpholin-4-yl)butanoate hydrobromide, (6aR,10aR)-

Systematic Name

English

Code System Code Type Description

CAS

51278-97-8

Created by admin on Sat Dec 16 08:23:59 GMT 2023 , Edited by admin on Sat Dec 16 08:23:59 GMT 2023

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EPA CompTox

DTXSID10965570

Created by admin on Sat Dec 16 08:23:59 GMT 2023 , Edited by admin on Sat Dec 16 08:23:59 GMT 2023

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FDA UNII

R2CXA5AV9V

Created by admin on Sat Dec 16 08:23:59 GMT 2023 , Edited by admin on Sat Dec 16 08:23:59 GMT 2023

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PUBCHEM

21122800

Created by admin on Sat Dec 16 08:23:59 GMT 2023 , Edited by admin on Sat Dec 16 08:23:59 GMT 2023

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