ACETORPHINE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H35NO5
Molecular Weight	453.5705
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ACETORPHINE

Structure Search

SMILES

[H][C@@]12OC3=C(OC(C)=O)C=CC4=C3[C@@]15CCN(C)[C@]([H])(C4)[C@@]56C[C@]([H])([C@](C)(O)CCC)[C@]2(OC)C=C6

InChI

InChIKey=LFYBMMHFJIAKFE-PMEKXCSPSA-N

InChI=1S/C27H35NO5/c1-6-9-24(3,30)19-15-25-10-11-27(19,31-5)23-26(25)12-13-28(4)20(25)14-17-7-8-18(32-16(2)29)22(33-23)21(17)26/h7-8,10-11,19-20,23,30H,6,9,12-15H2,1-5H3/t19-,20-,23-,24-,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H35NO5
Molecular Weight	453.5705
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 `Fri Dec 15 16:38:25 UTC 2023` Edited by `admin` on `Fri Dec 15 16:38:25 UTC 2023`
Record UNII	2OGQ81529L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETORPHINE

Official Name

English

ACETORFINA

Common Name

English

6,7,8,14-TETRAHYDRO-7.ALPHA.-(1-HYDROXY-1-METHYLBUTYL)-6,14-ENDO-ETHENOORIPAVINE 3-ACETATE

Common Name

English

ACETYLPROPYLORVINOL

Common Name

English

IDS-NA-001

Code

English

7.ALPHA.-ETORPHINE 3-ACETATE

Common Name

English

acetorphine [INN]

Common Name

English

IDS-NA-001(SECT.3)

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C241

Created by admin on Fri Dec 15 16:38:25 UTC 2023 , Edited by admin on Fri Dec 15 16:38:25 UTC 2023

DEA NO.

9319

Created by admin on Fri Dec 15 16:38:25 UTC 2023 , Edited by admin on Fri Dec 15 16:38:25 UTC 2023

Code System Code Type Description

WIKIPEDIA

ACETORPHINE

Created by admin on Fri Dec 15 16:38:25 UTC 2023 , Edited by admin on Fri Dec 15 16:38:25 UTC 2023

PRIMARY

EPA CompTox

DTXSID60905123

Created by admin on Fri Dec 15 16:38:25 UTC 2023 , Edited by admin on Fri Dec 15 16:38:25 UTC 2023

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INN

2286

Created by admin on Fri Dec 15 16:38:25 UTC 2023 , Edited by admin on Fri Dec 15 16:38:25 UTC 2023

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EVMPD

SUB05226MIG

Created by admin on Fri Dec 15 16:38:25 UTC 2023 , Edited by admin on Fri Dec 15 16:38:25 UTC 2023

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FDA UNII

2OGQ81529L

Created by admin on Fri Dec 15 16:38:25 UTC 2023 , Edited by admin on Fri Dec 15 16:38:25 UTC 2023

PRIMARY

PUBCHEM

20055090

Created by admin on Fri Dec 15 16:38:25 UTC 2023 , Edited by admin on Fri Dec 15 16:38:25 UTC 2023

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DRUG BANK

DB01469

Created by admin on Fri Dec 15 16:38:25 UTC 2023 , Edited by admin on Fri Dec 15 16:38:25 UTC 2023

PRIMARY

NCI_THESAURUS

C79929

Created by admin on Fri Dec 15 16:38:25 UTC 2023 , Edited by admin on Fri Dec 15 16:38:25 UTC 2023

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SMS_ID

100000084618

Created by admin on Fri Dec 15 16:38:25 UTC 2023 , Edited by admin on Fri Dec 15 16:38:25 UTC 2023

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ChEMBL

CHEMBL2104593

Created by admin on Fri Dec 15 16:38:25 UTC 2023 , Edited by admin on Fri Dec 15 16:38:25 UTC 2023

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CAS

25333-77-1

Created by admin on Fri Dec 15 16:38:25 UTC 2023 , Edited by admin on Fri Dec 15 16:38:25 UTC 2023

PRIMARY

Related Record Type Details


					60E212GZCG

ACETORPHINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Comments:

APPROXIMATE PURE ANHYDROUS DRUG CONTENT (IN PERCENT)

Amount:


					2P9MKG8GX7

THEBAINE

PARENT -> DERIVATIVE

Comments:

3-O-acetyltetrahydro-7.ALPHA.-(1-hydroxy-1-methylbutyl)-6,14-endo-ethenooripavine (derivative of thebaine) - as per INCB.

Related Record Type Details


					2OGQ81529L

ACTIVE MOIETY