E2-CDS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H31NO3
Molecular Weight	393.5185
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](OC(=O)C3=CN(C)C=CC3)[C@@]1(C)CC[C@]4([H])C5=C(CC[C@@]24[H])C=C(O)C=C5

InChI

InChIKey=KTMLJZFJHDUEAU-BZDYCCQFSA-N

InChI=1S/C25H31NO3/c1-25-12-11-20-19-8-6-18(27)14-16(19)5-7-21(20)22(25)9-10-23(25)29-24(28)17-4-3-13-26(2)15-17/h3,6,8,13-15,20-23,27H,4-5,7,9-12H2,1-2H3/t20-,21-,22+,23+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H31NO3
Molecular Weight	393.5185
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:09:21 GMT 2023` Edited by `admin` on `Fri Dec 15 16:09:21 GMT 2023`
Record UNII	C05R6FO70O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

E2-CDS

Common Name

English

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 17-(1,4-DIHYDRO-1-METHYL-3-PYRIDINECARBOXYLATE)

Common Name

English

Code System Code Type Description

CAS

103562-82-9

Created by admin on Fri Dec 15 16:09:21 GMT 2023 , Edited by admin on Fri Dec 15 16:09:21 GMT 2023

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PUBCHEM

67383

Created by admin on Fri Dec 15 16:09:21 GMT 2023 , Edited by admin on Fri Dec 15 16:09:21 GMT 2023

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FDA UNII

C05R6FO70O

Created by admin on Fri Dec 15 16:09:21 GMT 2023 , Edited by admin on Fri Dec 15 16:09:21 GMT 2023

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EPA CompTox

DTXSID20908473

Created by admin on Fri Dec 15 16:09:21 GMT 2023 , Edited by admin on Fri Dec 15 16:09:21 GMT 2023

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Related Record Type Details


					C05R6FO70O

E2-CDS

ACTIVE MOIETY