N-METHYLNALTRINDOLE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H28N2O3
Molecular Weight	428.5228
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC7=C2N(C)C8=C7C=CC=C8)=CC=C3O

InChI

InChIKey=CRTCCMARDBQOKA-NVSKSXHLSA-N

InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21-,25+,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H28N2O3
Molecular Weight	428.5228
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:54:15 UTC 2023` Edited by `admin` on `Sat Dec 16 08:54:15 UTC 2023`
Record UNII	M993BKL35V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-METHYLNALTRINDOLE

Common Name

English

4,8-METHANOBENZOFURO(2,3-A)PYRIDO(4,3-B)CARBAZOLE-1,8A(9H)-DIOL, 7-(CYCLOPROPYLMETHYL)-5,6,7,8,14,14B-HEXAHYDRO-14-METHYL-, (4BS,8R,8AS,14BR)-)

Common Name

English

Code System Code Type Description

CAS

111555-57-8

Created by admin on Sat Dec 16 08:54:15 UTC 2023 , Edited by admin on Sat Dec 16 08:54:15 UTC 2023

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FDA UNII

M993BKL35V

Created by admin on Sat Dec 16 08:54:15 UTC 2023 , Edited by admin on Sat Dec 16 08:54:15 UTC 2023

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PUBCHEM

5362396

Created by admin on Sat Dec 16 08:54:15 UTC 2023 , Edited by admin on Sat Dec 16 08:54:15 UTC 2023

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EPA CompTox

DTXSID20912217

Created by admin on Sat Dec 16 08:54:15 UTC 2023 , Edited by admin on Sat Dec 16 08:54:15 UTC 2023

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Related Record Type Details


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N-(C11)METHYLNALTRINDOLE

LABELED -> NON-LABELED