NANTRADOL

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NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C27H35NO4
Molecular Weight	437.5711
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NANTRADOL

Structure Search

SMILES

CC(CCCC1=CC=CC=C1)OC2=CC(OC(C)=O)=C3[C@@H]4C[C@H](O)CC[C@H]4[C@H](C)NC3=C2

InChI

InChIKey=FFVXQGMUHIJQAO-KXUCESEGSA-N

InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3/t17?,18-,21+,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H35NO4
Molecular Weight	437.5711
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:31:55 GMT 2025` Edited by `admin` on `Mon Mar 31 18:31:55 GMT 2025`
Record UNII	9KB5WI7MQ6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NANTRADOL

Official Name

English

(±)-5,6,6A.BETA.,7,8,9.ALPHA.,10,10A.ALPHA.-OCTAHYDRO-6.BETA.-METHYL-3-(1-METHYL-4-PHENYLBUTOXY)-1,9-PHENANTHRIDINEDIOL 1-ACETATE

Preferred Name

English

nantradol [INN]

Common Name

English

1,9-PHENANTHRIDINEDIOL, 5,6,6A,7,8,9,10,10A-OCTAHYDRO-6-METHYL-3-(1-METHYL-4-PHENYLBUTOXY)-, 1-ACETATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241

Created by admin on Mon Mar 31 18:31:55 GMT 2025 , Edited by admin on Mon Mar 31 18:31:55 GMT 2025

Code System Code Type Description

EVMPD

SUB09151MIG

Created by admin on Mon Mar 31 18:31:55 GMT 2025 , Edited by admin on Mon Mar 31 18:31:55 GMT 2025

PRIMARY

PUBCHEM

47653

Created by admin on Mon Mar 31 18:31:55 GMT 2025 , Edited by admin on Mon Mar 31 18:31:55 GMT 2025

PRIMARY

MESH

C025490

Created by admin on Mon Mar 31 18:31:55 GMT 2025 , Edited by admin on Mon Mar 31 18:31:55 GMT 2025

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EPA CompTox

DTXSID601024354

Created by admin on Mon Mar 31 18:31:55 GMT 2025 , Edited by admin on Mon Mar 31 18:31:55 GMT 2025

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WIKIPEDIA

Nantradol

Created by admin on Mon Mar 31 18:31:55 GMT 2025 , Edited by admin on Mon Mar 31 18:31:55 GMT 2025

PRIMARY

NCI_THESAURUS

C83983

Created by admin on Mon Mar 31 18:31:55 GMT 2025 , Edited by admin on Mon Mar 31 18:31:55 GMT 2025

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FDA UNII

9KB5WI7MQ6

Created by admin on Mon Mar 31 18:31:55 GMT 2025 , Edited by admin on Mon Mar 31 18:31:55 GMT 2025

PRIMARY

ChEMBL

CHEMBL2110953

Created by admin on Mon Mar 31 18:31:55 GMT 2025 , Edited by admin on Mon Mar 31 18:31:55 GMT 2025

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INN

4723

Created by admin on Mon Mar 31 18:31:55 GMT 2025 , Edited by admin on Mon Mar 31 18:31:55 GMT 2025

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CAS

65511-41-3

Created by admin on Mon Mar 31 18:31:55 GMT 2025 , Edited by admin on Mon Mar 31 18:31:55 GMT 2025

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SMS_ID

100000084466

Created by admin on Mon Mar 31 18:31:55 GMT 2025 , Edited by admin on Mon Mar 31 18:31:55 GMT 2025

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Related Record Type Details


					9KB5WI7MQ6

NANTRADOL

ACTIVE MOIETY