UCSF

ZINC03831165

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 22 Yes

CAS Numbers: 1164498-31-0 , 42200-33-9 , 94513-92-5

Other Names:

(2R,3S)-5-(3-(tert-Butylamino)-2-hydroxypropoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol

(2R,3S)-5-(3-(tert-Butylamino)-2-hydroxypropoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol; 1-(tert-Butylamino)-3-((5,6,7,8-tetrahydro-cis-6,7-dihydroxy-1-naphthyl)oxy)-2-propanol; 2,3-Naphthalenediol, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,

(2R,3S)-5-({3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl}oxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol

(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol

(2R,3S,2'S)-nadolol

adol-

olol

2,3-cis-1,2,3,4-Tetrahydro-5-((2-hydroxy-3-tert-butylamino)propoxy)-2,3-naphthalenediol

2,3-Naphthalenediol, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-

2,3-Naphthalenediol, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, cis-

42200-33-9

42200-33-9; Corgard (TN); D00432; Nadolol (JP16/USP/INN)

42200-33-9; Nadolol; Prestwick_108

5-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-2,3-naphthalenediol

AC1L2151

AC1Q1MO3

AC1Q77IZ

Anabet

BAN

BRD-A87606379-001-03-4

BRD-A97454584-001-02-0

BSPBio_003152

CCRIS 1048

CHEMBL649

CID39147

COGARD

Corgard

Corgard (TN)

Corgaretic

CPD000058975

CPD000058975; NADOLOL; SAM002264627

D00432

D009248

DAP000122

DB01203

DivK1c_000427

EINECS 255-706-3

FDA

HMS1570D17

HMS1922O05

HMS2093A15

HMS501F09

HSDB 6532

IDI1_000427

INN

INV-102

JAN

KBio1_000427

KBio2_002123

KBio2_004691

KBio2_007259

KBio3_002652

KBioGR_000765

KBioSS_002123

LS-94578

MFCD00079476

MLS000028580

MLS001148087

MolPort-003-666-474

Nadic

Nadolol (BAN

Nadolol (FDA

Nadolol (JP15/USP/INN)

Nadolol D9

Nadolol [USAN:BAN:INN:JAN]

Nadololum

Nadololum [INN-Latin]

NCGC00089811-02

NINDS_000427

Prestwick0_000818

Prestwick1_000818

Prestwick2_000818

Prestwick_108

SAM002264627

SMP1_000203

SMR000058975

Solgol

SPBio_001392

SPBio_002636

SPECTRUM1503260

Spectrum2_001546

Spectrum3_001586

Spectrum4_000193

Spectrum5_001255

Spectrum_001643

SQ 11725

SQ-11725

SQ11725

UNII-FEN504330V

USAN

USP)

VU0239635-6

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) 1.15 -0.44 -42.76 5 5 1 87 310.414 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.25e+00 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Therapy betaadrenergic blocker SMDC Iconix
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : N-5214 NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: N-5214 NIH Clinical Collection via PubChem

Activity (Go SEA)

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