UCSF

ZINC03814395

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 23 No

Popular Name: Levonorgestrel Levonorgestrel

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100021-05-4 , 6533-00-2 , 797-63-7 , 797-63-7  , 797-64-8 , [6533-00-2]

Other Names:

(+-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one; 18,19-Dinor-17-alpha-pregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (+-)-; 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (17alpha)-(+-)-; C21H28O2; CCRIS 9033; CRYSELLE; EINECS

(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one; (-)-Norgestrel; 13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one; 13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one; 13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one; 13-Ethyl-17-

(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one; 13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one; 13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one; 13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one; 17-Ethynyl-18-meth

(-)-Norgestrel

(1S,2R,10R,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one

(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

)-Norgestrel

estr-

gest-

121714-72-5

13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE

13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one

13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one

13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one

13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one

13-Ethyl-17alpha-ethynylgon-4-en-17beta-ol-3-one

13-ethyl-17alpha-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one

13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one

17-alpha-Ethynyl-13-ethyl-19-nortestosterone

17-Ethynyl-18-methyl-19-nortestosterone

17alpha-Ethynyl-13-ethyl-19-nortestosterone

17alpha-Ethynyl-13beta-ethyl-3-oxo-4-estren-17beta-ol

17alpha-Ethynyl-17-hydroxy-18-methylestr-4-en-3-one

17alpha-ethynyl-17beta-hydroxy-18a-homoestr-4-en-3-one

17alpha-Ethynyl-18-homo-19-nor-testosterone

17alpha-Ethynyl-18-homo-19-nortestosterone

18,19-Dinor-4-pregnen-20-yn-3-one

18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)-(+-)-, mixt. with (17-alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol; 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)-(+-)-,mixt. with (17-alpha)-19-norpregna-1,

18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)-, mixt. with (17-alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol; Adepal; Alesse; Alesse 28; Anna; Anteovin; Biphasil 21; Biphasil 28; Ethinyl estradiol/levonorgestrel; Ethinylestrad

18-Methyl-17-alpha-ethynyl-19-nortestosterone

18-Methylnorethisterone

18-Methylnorethisterone;D(-)-Norgestrel;Levonorgestrelum [INN-Latin]

19-Nortestosterone, 17-ethynyl-18-methyl-

4222-79-1

6533-00-2

6533-00-2; C08153; DL-Norgestrel; Norgestrel

6533-00-2; D00954; Norgestrel (JP16/USP/INN); Ovrette (TN)

72-HOURS

797-62-6

797-63-7

797-63-7; C08149; D-Norgestrel; Levonorgestrel

797-63-7; D00950; Levonorgestrel (JAN/USP/INN); Mirena (TN); Norplant (TN); Skyla (TN)

797-63-7; Norgestrel-(-)-D; Prestwick_109

AC1L211U

AC1Q6OEV

alpha-Norgestrel

BAY 86-5028

BAY86-5028

BIDD:PXR0194

Bio-0595

BPBio1_000932

BRD-K35189033-001-03-0

BRN 2391114

BSPBio_000846

C08149

C08153

Capronor

CCRIS 6525

CCRIS 9033

CHEBI:44593

CHEBI:6443

CHEMBL1389

CID13109

component of Lo/ovral

CPD000059117

CPD000059117; LEVONORGESTREL

CPD000059117; LEVONORGESTREL; SAM001246694

D -Norgestrel

D(−

d(-)-Norgestrel

D-(-)-Norgestrel

D-Norgestrel

D00950

D00954

DAP001207

DAP001208

DB00367

DB00506

Dexnorgestrel (obsol.)

dl-13-beta-Ethyl-17-alpha-ethynyl-19-nortestosterone

dl-Norgestrel

E-Gen-C

EINECS 212-349-8

EINECS 229-433-5

FDA

FH 122-A

Follistrel

HMS1570K08

HMS2051M08

HMS2090O06

HSDB 3595

HSDB 6483

INN

Jadelle

Jadelle; Levonelle; Levonova; Microlut; Microluton; Microval; Mirena; NorLevo; Plan B; Postinor

JAN

Ld norgestrel

LD norgestrel [French]

Levlen

Levlen Ed

Levonelle

Levonelle, D-Norgestrel, Levonova

Levonelle, D-Norgestrel, Levonova, Levonorgestrel

Levonorgesterol

Levonorgestrel (BAN

Levonorgestrel (JAN/USP/INN)

Levonorgestrel (Levonelle)

Levonorgestrel implants

Levonorgestrel [USAN:INN:BAN]

Levonorgestrel, Norgestrel

levonorgestrel; levonorgestrelum

Levonorgestrelum

Levonorgestrelum [INN-Latin]

Levonova

Levora-21

Levora-28

LMST02030119

LO/Ovral

Logynon Ed

LS-187748

LS-62083

LS-62084

Malloside

Methylnorethindrone

MFCD00199013

MFCD00797840

MFCD01546387

Microgest Ed

Microgyn

Microgynon 21

Microgynon 28

Microgynon 30 Ed

Microgynon Cd

Microlut

Microlution

Microluton

Microval

Minivlar 30

Mirena

Mirena (TN)

MLS000069491

MLS000759484

MLS001074069

MolPort-002-510-453

Monofeme 28

Monovar

N2260_FLUKA

N2260_SIGMA

NCGC00159349-02

NCGC00159349-03

Neogest

Neogynon 21

Next Choice

Nordet

Nordette

Nordette 21

Nordette 28

Norgeston

Norgestrel

Norgestrel (BAN

Norgestrel (JP15/USP/INN)

Norgestrel [Progestins]

Norgestrel [USAN:BAN:INN:JAN]

Norgestrel [USAN:INN:BAN:JAN]

Norgestrel-(-)-D

Norgestrelum

Norgestrelum [INN-Latin]

NorLevo

Norplant

Norplant (TN)

Norplant 2

Norplant ii

Norplant System in Plastic Container

Norplant-2

NSC744007

Ovoplex 30-150

Ovral-Lo

Ovranette

Ovrette

Ovrette (TN)

Plan b

Postinor

Postinor-2

Prestwick0_000773

Prestwick1_000773

Prestwick2_000773

Prestwick3_000773

Prestwick_109

Preven

QA-4117

Rigevidon 21+7

S1727_Selleck

SAM001246694

SH 70850

SH 850

SMR000059117

SMR000653526

SOH-075

SPBio_002785

Stediril 30

Tetragynon

Tri-Levlen

Tri-Levlen 21

Triagynon

Triciclor

Trifeme 28

Trigoa

Trinordiol 21

Trinordiol 28

Triphasil 21

Triphasil 28

Triquilar ED

Trivora

UNII-3J8Q1747Z2

UNII-5W7SIA7YZW

USAN

USP)

Wy 3707

WY-3707

WY-3707; WY-5104

WY-5104

ZINC03814395

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.56 8.77 -8.33 1 2 0 37 312.453 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.83e-03 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Patent Database Links EP1535618; EP1591121; EP1818338; EP1857111; EP1862167; US2005085470; US2005187267; US2006030717; US2007149812; US2007185068; US2007189977; US2007196323; US2007196452; US2007196453; US2007197488; US2007207945; US2007212392; US2007213306; US2007225281; US20 ChEBI
Target Estrogen/progestogen Receptor Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01390l NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
therap progestin MicroSource Spectrum
mechanism Progestogen IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01390l NIH Clinical Collection via PubChem
biological_use Tocolytic IBScreen Bioactives IBScreen Bioactives
biological_use Used in oral contraceptives IBScreen Bioactives

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Analogs ( Draw Identity 99% 90% 80% 70% )