UCSF

ZINC53006806

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 23 Yes

Popular Name: Spectinomycin hydrochloride Spectinomycin hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1695-77-8 , 21736-83-4 , 22189-32-8 , 22189-32-8, 21736-83-4 [a , 22189-32-8, 21736-83-4 [anhydrous], 1695-77-8 [spectinomycin] , 23312-56-3 , 64058-48-6 , 8025-81-8 , [1695-77-8] , [21736-83-4] , [23312-56-3] , [8025-81-8]

Other Names:

(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0^{3,8}]tetradecan-7-one

(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0^{3,8}]tetradecan-7-one dihydrochloride

(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one

(2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4H-pyrano(2,3-b)(1,4)benzodioxin-4-one monohydrochloride

mycin

1695-77-8

1695-77-8 (Parent)

1695-77-8; Adspec (TN); D08526; Prospec (TN); SPCM; Spectinomycin (INN)

1695-77-8; C02078; Spectinomycin

21736-83-4

21736-83-4 (di-hydrochloride, anhydrous)

21736-83-4; Prestwick_106; Spectinomycin dihydrochloride

22189-32-8

22189-32-8 (di-hydrochloride, pentahydrate)

22189-32-8; D00869; Spectinomycin hydrochloride (USP); Spectinomycin hydrochloride hydrate (JP16); Trobicin (TN)

22193-75-5

23312-56-3

4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-

4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-

4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-

4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-; 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, di

4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, (2R-(2-alpha,4a-beta,5a-beta,6-beta,7-beta,8-beta,9-alpha,9a-alpha,10a-beta))-

4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, monohydrochloride, (2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-

4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-

4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2R-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.)]-, sulfate (1:1) (salt)

AC-13570

AC1L21VZ

AC1L21W5

AC1L263X

AC1MHWL1

AC1Q3EJ7

AC1Q6CAT

Actinospectacin

ACTINOSPECTACIN, ESPECTINOMICINA, CHX-3101

Actinospectacin, hydrochloride

Actinospectacin, tetrahydrate, sulfate; C14H24N2O7; LS-145727; Spectinomycin, sulfate, tetrahydrate; Spectinomycin, tetrahydrate, sulfate; Trobicin sulfate; U-18409E; spectinomycin sulfate tetrahydrate

Actinospectacina

Actinospectacina [Italian]

Actinospectacina [Italian];Antibiotic 2233wp;Espectinomicina [INN-Spanish];SCM;Spectinomicina [Italian];Spectinomycin HCl/ Sulphate;Spectinomycine [INN-French];Spectinomycinum [INN-Latin]

Adspec

Adspec (TN)

Antibiotic 2233wp

Antibiotic 2233wp; Spectinomycin

BPBio1_000735

BRN 2171701

BSPBio_000667

C02078

C14H24N2O7

C14H24N2O7.2HCl

CHEBI:45551

CHEMBL1167

CHEMBL1200407

CID15541

CID3033928

CID64769

CID64771

CPD001906777; SAM002564233; SPECTINOMYCIN DIHYDROCHLORIDE PENTAHYDRATE

CPD001906777; SAM002564233; SPECTINOMYCIN DIHYDROCHLORIDE PENTAHYDRATE; Spectinomycin

D08526

DAP000403

DB00919

DivK1c_000137

EINECS 216-911-3

EINECS 244-554-3

EINECS 245-578-7

Espectinomicina

Espectinomicina [INN-Spanish]

Espectinomicina [INN-Spanish];Actinospectacina [Italian];Antibiotic 2233wp;SCM;Spectinomicina [Italian];Spectinomycin HCl/ Sulphate;Spectinomycine [INN-French];Spectinomycinum [INN-Latin]

espectinomicina; spectinomycin; spectinomycine; spectinomycinum

Formacidine

HMS2089C03

IDI1_000137

INN); Spectinomycin HCl (FDA

INN); Spectinomycin Hydrochloride (FDA

JAN

KBio1_000137

KBio2_001434

KBio2_004002

KBio2_006570

KBio3_001816

KBioGR_001425

KBioSS_001434

LS-127327

LS-127328

M 141

M-141

M-141; U-18409AE

MFCD00058104

MFCD00070403

MFCD00270185

MFCD06804584

MLS001032090

MolPort-002-513-665

MolPort-004-947-049

N/A

NCGC00142531-01

NCGC00142531-02

NCGC00180937-01

NCI60_000023

NINDS_000137

NSC 132679

NSC 248616

NSC100859

NSC132679

NSC248616

Prestwick0_000804

Prestwick1_000804

Prestwick2_000804

Prestwick3_000804

Prospec

Prospec (TN)

SCM

SMP1_000276

SPBio_001409

SPBio_002588

SPCM

Spectam

Spectam Scour Halt

Spectinomicina

Spectinomicina [Italian]

Spectinomycin

Spectinomycin (BAN

Spectinomycin (dihydrochloride)

Spectinomycin (INN)

Spectinomycin 2HCl

Spectinomycin Di HCl

SPECTINOMYCIN DIHYDROCHLORIDE

Spectinomycin dihydrochloride pentahydrate

Spectinomycin Dihydrochloride, Anhydrous

Spectinomycin Dihydrochloride, Pentahydrate

SPECTINOMYCIN HCL

Spectinomycin HCl/ Sulphate

Spectinomycin HCl; Spectinomycin dihydrochloride; Spectinomycin hydrochloride; Spectinomycin hydrochloride anhydrous

Spectinomycin Hydrochloride

Spectinomycin Hydrochloride (anhydrous)

Spectinomycin hydrochloride anhydrous

Spectinomycin hydrochloride, Antibiotic for Culture Media Use Only

Spectinomycin monohydrochloride

SPECTINOMYCIN SULFATE

spectinomycin sulphate

Spectinomycin [INN:BAN]

SPECTINOMYCINDIHYDROCHLORIDE

Spectinomycine

Spectinomycine [INN-French]

SPECTINOMYCINSULFATE

Spectinomycinum

Spectinomycinum [INN-Latin]

Spectogard

Spectrum2_001315

Spectrum3_000898

Spectrum4_000993

Spectrum5_001407

Spectrum_000954

Spiramycin

Spiramycin, Antibiotic for Culture Media Use Only

ST057253

Stanilo

STOCK1N-24271

Togamycin

Togamycin sulfate (1:1)

Trobicin

U 18409

U 18409 E

U-18409AE

UNII-93AKI1U6QF

USAN

USP)

XK 43-1

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

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.50e+02 g/l DrugBank-approved
MP 210 - 212 Enamine Building Blocks
MP 210...212 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy antibacterial SMDC Iconix
Indications antibiotic KeyOrganics Bioactives
Target Antifection Selleck Chemicals
UniProt Database Links CORTO_DROME; HIGA1_VIBCH; HIGB1_VIBCH; MDFA_ECOLI; PC_DROME; PHP_DROME; PSC_DROME; RR5_SPIOL; RS5_THET8; RSGA_ECOLI; SCMH1_HUMAN; SCMH1_MOUSE; SCML1_GORGO; SCML1_HOOHO; SCML1_HUMAN; SCML1_MACMU; SCML1_NOMLE; SCML1_PANTR; SCML1_PONPY; SCML1_PYGBI; SCML2_HU ChEBI
PUBCHEM_PATENT_ID EP0178601A2; EP0178601B1; EP0181578A2; EP0181578B1; EP0197718A2; EP0197718B1; EP0197937A1; EP0216898A1; EP0249676A2; EP0278940A2; EP0359617A2; EP0437451A1; EP0437451B1; EP0507934A1; EP0513879A2; EP0513879A3; EP0513879B1; EP0516647B1; EP0534526A1; EP057550 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : S-8888; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 5 water NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: S-8888; SALT: 5 water; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
Purity USP24 APIChem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.