7-PET HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H37NO4.ClH
Molecular Weight	524.091
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]15CCN(C)[C@]([H])(C4)[C@@]56C[C@]([H])([C@](C)(O)CCC7=CC=CC=C7)[C@]2(OC)C=C6

InChI

InChIKey=AOQZYTXSOFIYDV-ZRYJIWFNSA-N

InChI=1S/C31H37NO4.ClH/c1-28(33,13-12-20-8-6-5-7-9-20)23-19-29-14-15-31(23,35-4)27-30(29)16-17-32(2)24(29)18-21-10-11-22(34-3)26(36-27)25(21)30;/h5-11,14-15,23-24,27,33H,12-13,16-19H2,1-4H3;1H/t23-,24-,27-,28-,29-,30+,31-;/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	C31H37NO4
Molecular Weight	487.6298
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:23:44 GMT 2023` Edited by `admin` on `Sat Dec 16 11:23:44 GMT 2023`
Record UNII	Y9K9O81N7R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-PET HYDROCHLORIDE

Common Name

English

6,14-ETHENOMORPHINAN-7-METHANOL, 4,5-EPOXY-3,6-DIMETHOXY-.ALPHA.,17-DIMETHYL-.ALPHA.-(2-PHENYLETHYL)-, HYDROCHLORIDE, (5.ALPHA.,7.ALPHA.(R))-

Systematic Name

English

6,14-ENDO-ETHENOTETRAHYDROTHEBAINE, 7.ALPHA.-(1-HYDROXY-1-METHYL-3-PHENYLPROPYL)-, HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

CAS

16206-52-3

Created by admin on Sat Dec 16 11:23:44 GMT 2023 , Edited by admin on Sat Dec 16 11:23:44 GMT 2023

PRIMARY

PUBCHEM

119025968

Created by admin on Sat Dec 16 11:23:44 GMT 2023 , Edited by admin on Sat Dec 16 11:23:44 GMT 2023

PRIMARY

FDA UNII

Y9K9O81N7R

Created by admin on Sat Dec 16 11:23:44 GMT 2023 , Edited by admin on Sat Dec 16 11:23:44 GMT 2023

PRIMARY

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