UCSF

ZINC04081771

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 22 No

Popular Name: Testolactone Testolactone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 968-93-4 , [968-93-4]

Other Names:

(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione

(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione; 1,2-didehydrotestololactone; 1-dehydrotestololactone; 13-hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid delta-lactone; D-homo

(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione

(R)-1-((S)-1-phenylethyl)azetidine-2-carboxylic acid

.DELTA.1-Dehydrotestolactone

.DELTA.1-Dehydrotestololactone

.DELTA.1-Testololactone

1 Dehydrotestolactone

1,2,3,4,4a,4b,7,9,10,10a-Decahydro-2-hydroxy-2,4b-dimethyl-7-oxo-1-phenanthrenepropionic acid delta-lactone

1,2,3,4,4a,4b,7,9,10,10a-Decahydro-2-hydroxy-2,4b-dimethyl-7-oxo-1-phenanthrenepropionic acid delta-lactone; 1,2-Didehydrotestololactone; 1-Dehydrotestololactone; 13,17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, delta-lactone; 13-Hydroxy-3-oxo-

1,2-Dehydrotestololactone

1,2-didehydrotestololactone

1-Dehydrotestolactone

1-dehydrotestololactone

13,17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, .delta.-lactone

13,17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, delta-lactone

13,17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, delta-lactone (8CI)

13,17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, lactone

13,17-Secoandrosta-1,4-dien-17-oic acid, 13.alpha.-hydroxy-3-oxo-, .delta.-lactone

13-Hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid .delta.-lactone

13-Hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid delta-lactone

17a-Oxa-D-homoandrosta-1,4-diene-3,17-dione

17alpha-Oxo-D-homo-1,4-androstadiene-3,17-dione

2H-Phenanthro[2,1-b]pyran-2,8(4bH)-dione, 3,4,4a,5,6,10a,10b,11,12,12a-decahydro-10a,12a-dimethyl-, lactone

3-oxo-13,17-secoandrosta-1,4-dieno-17,13alpha-lactone

968-93-4

968-93-4; C02197; Testolactone

968-93-4; D00153; Teslac (TN); Testolactone (USP/INN)

AC1L22FS

Bristol Myers Squibb Brand of Testolactone

Bristol-Myers Squibb Brand of Testolactone

C02197

C19H24O3

CHEBI:9460

CHEMBL1571

CID13769

D-Homo-17A-oxaandrosta-1,4-diene-3,17-dione

D00153

D013738

DAP000624

DB00894

delta(1)-Dehydrotestolactone

delta(1)-Testolactone

Delta(1)-testololactone

Delta-1-testololactone

EINECS 213-534-6

Fludestrin

HSDB 3255

INN

LMST02020084

LS-102968

MFCD00866295

MolPort-004-286-011

NCI60_001908

NSC 23759

NSC-12173

NSC-23759

NSC23759

SQ 9538

SQ-9538

Teolit

Teslac

TESLAC (TN)

Teslak

Testolacton

Testolactona

Testolactona [INN-Spanish]

Testolactona [INN-Spanish];Testolactonum [INN-Latin];Testolattone [Dcit]

Testolactone (FDA

Testolactone (USP/INN)

Testolactone [USAN:INN]

Testolactonum

Testolactonum [INN-Latin]

Testolattone

Testolattone [Dcit]

Testololactone, 1,2-didehydro-

Testololactone, 1-dehydro-

UNII-6J9BLA949Q

USAN

USP)

ZINC04081771

Download: MOL2 SDF SMILES Flexibase

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) 3.24 9.51 -15.67 0 3 0 43 300.398 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.30e-02 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0039224A2; EP0079191A1; EP0100172A1; EP0124027A1; EP0149499A2; EP0154528A2; EP0154528B1; EP0165777A1; EP0165778A1; EP0165779A1; EP0165780A1; EP0165782A1; EP0165783A1; EP0165784A2; EP0166556A1; EP0193303A2; EP0193303B1; EP0342665A2; EP0359981A1; EP035998 IBM Patent Data
Patent Database Links EP1537858; EP1538164; EP1717247; EP1862167; EP1938798; US2005130980; US2006014755; US2006030555; US2006040958; US2006041131; US2006069103; US2006094706; US2006106023; US2006122389; US2006128725; US2006173016; US2006173017; US2006178371; US2006281778; US20 ChEBI

Activity (Go SEA)

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