SEPRANOLONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H34O2
Molecular Weight	318.4935
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SEPRANOLONE

Structure Search

SMILES

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@@H](O)CC[C@]34C

InChI

InChIKey=AURFZBICLPNKBZ-FZCSVUEKSA-N

InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H34O2
Molecular Weight	318.4935
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 03:59:37 UTC 2023` Edited by `admin` on `Sat Dec 16 03:59:37 UTC 2023`
Record UNII	3P8Z6V53MU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SEPRANOLONE

Official Name

English

NSC-97078

Code

English

3.BETA.-HYDROXY-5.ALPHA.-TETRAHYDROPROGESTERONE

Common Name

English

ALLOPREGNAN-3.BETA.-OL-20-ONE [MI]

Common Name

English

U-0949

Code

English

UC1010

Code

English

ISOALLOPREGNANOLONE

Common Name

English

EPIALLOPREGNANOLONE

Common Name

English

sepranolone [INN]

Common Name

English

3.BETA.-HYDROXY-5.ALPHA.-PREGNAN-20-ONE

Systematic Name

English

ISOPREGNANOLONE

Common Name

English

UC-1010

Code

English

PREGNAN-20-ONE, 3-HYDROXY-, (3.BETA.,5.ALPHA.)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C776

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

Code System Code Type Description

DRUG BANK

DB12972

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

PRIMARY

WIKIPEDIA

ISOPREGNANOLONE

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

PRIMARY

EPA CompTox

DTXSID001023710

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

PRIMARY

FDA UNII

3P8Z6V53MU

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

PRIMARY

MERCK INDEX

m1538

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

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Merck Index

NCI_THESAURUS

C152338

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

PRIMARY

PUBCHEM

92787

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

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SMS_ID

100000127636

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

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EVMPD

SUB33700

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

PRIMARY

INN

9618

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

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NSC

97078

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

PRIMARY

ECHA (EC/EINECS)

208-224-2

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

PRIMARY

CAS

516-55-2

Created by admin on Sat Dec 16 03:59:37 UTC 2023 , Edited by admin on Sat Dec 16 03:59:37 UTC 2023

PRIMARY

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