UCSF

ZINC00000905

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: Altretamine Altretamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2975-00-0 , 645-05-6

Other Names:

1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N'', N''-hexamethyl-

1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N'',N''-hexa(methyl-d(sub 3))-; Hexa(methyl-d(sub 3))melamine; Hexakis(trideuteriomethyl)melamine; LS-89438; Melamine, hexa(methyl-d(sub 3))-

1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N'',N''-hexamethyl-

1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N'',N''-hexamethyl-, hydrochloride; 2,4,6-Tris(dimethylamino)-s-triazine hydrochloride; AI3-50905; ENT-50905; Hemel hydrochloride; Hexamethylmelamine hydrochloride; LS-89439; Melamine, hexamethyl-, hydrochloride

1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N'',N''-hexamethyl-; 1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N',N'-hexamethyl-; 2,4,6-Tris(dimethylamino)-1,3,5-triazine; 2,4,6-Tris(dimethylamino)-s-triazine; AI3-50852; ALTRETAMINE; Altretamina [INN-Spanish]; Al

1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N',N'-hexamethyl-

2,4, 6-Tris(dimethylamino)-1,3,5-triazine

2,4,6-Tris(dimethylami

2,4,6-Tris(dimethylamino)-1,3,5-triazine

2,4,6-tris(dimethylamino)-1,3,5-triazine; 2,4,6-tris(dimethylamino)-s-triazine; HMM

2,4,6-Tris(dimethylamino)-s-triazine

2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine

549835_ALDRICH

645-05-6

645-05-6; Altretamine (USP/INN); D02841; Hexalen (TN)

A 8723

A0567/0026158

A8723_SIGMA

AB00052308

AC-12006

AC1L1CYX

AI3-50852

AKOS001729401

Altretamina

Altretamina [INN-Spanish]

altretamina; altretamine; altretaminum

Altretamine (BAN

Altretamine (Hexalen)

Altretamine (hydrochloride)

Altretamine (USP/INN)

Altretamine Bellon Brand

Altretamine Chiesi Brand

Altretamine Wassermann Brand

Altretamine [USAN:INN:BAN]

Altretamine; CPD000058181; SAM002564241

Altretaminum

Altretaminum [INN-Latin]

Altretaminum [INN-Latin];HEXAMETHYLMELAMINE;HMM;HTM;HXM

Bellon Brand of Altretamine

BPBio1_001004

BRD-K67043667-001-04-1

BRN 0195058

BSPBio_000912

C9H18N6

CAS-654-05-6

CCRIS 5492

CHEBI:24564

CHEMBL1455

ChemDiv2_005185

Chiesi Brand of Altretamine

CID2123

CPD000058181

D006585

D02841

DAP000989

DB00488

DivK1c_000772

EINECS 211-428-4

ENT 50852

EU-0100083

FDA

FT-0083576

Hemel

Hexalen

Hexalen (TN)

Hexalen, Altretamine

Hexalen; Hexastat

HEXAMETHYLMELAMINE

Hexastat

Hexinawas

HMM

HMS1383L15

HMS1570N14

HMS1922C05

HMS2090G17

HMS2092H16

HMS502G14

HSDB 7559

HTM

HXM

I06-0604

IDI1_000772

IDI1_003900

InChI=1/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H

INN

KB-913

KBio1_000772

KBio2_001788

KBio2_004356

KBio2_006924

KBio3_002042

KBioGR_001388

KBioSS_001788

LS-1549

Melamine, hexamethyl-

MFCD00549245

MGI Pharma Brand of Altretamine

MLS000069621

MLS001076123

MolPort-002-111-210

N,N,N',N',N'',N''-hexamethyl-1,3,5-triazine-2,4,6-triamine

NC 195

NCGC00015100-01

NCGC00015100-02

NCGC00015100-03

NCGC00015100-06

NCGC00015100-11

NCGC00021216-03

NCGC00021216-04

NCGC00021216-05

NCGC00021216-06

NCGC00021216-07

NCI-C50259

NCI60_000871

NINDS_000772

no)-s-triazine

NSC 13875

NSC-13875

NSC13875

N~2~,N~2~,N~4~,N~4~,N~6~,N~6~-Hexamethyl-1,3,5-triazine-2,4,6-triamine

Prestwick0_000946

Prestwick1_000946

Prestwick2_000946

Prestwick3_000946

QA-9898

Rhone Poulenc Rorer Brand of Altretamine

Rhone-Poulenc Rorer Brand of Altretamine

s-Triazine, 2,4,6-tris(dimethylamino)-

S1278_Selleck

SAM002564241

SMR000058181

SPBio_000754

SPBio_003071

SPECTRUM1503065

Spectrum2_000907

Spectrum3_000951

Spectrum4_001064

Spectrum5_001092

Spectrum_001308

ST086739

STK749184

UNII-Q8BIH59O7H

USAN

USP)

Wassermann Brand of Altretamine

WLN: T6N CN ENJ BN1&1 DN1&1 FN1&1

ZINC00000905

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) 2.18 11.48 -8.91 0 6 0 48 210.285 3 ↓
Mid Mid (pH 6-8) 2.18 11.58 -23.57 1 6 1 50 211.293 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.10e+00 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
UniProt Database Links ABC3G_CHLAE; ABC3G_ERYPA; ABC3G_GORGO; ABC3G_HUMAN; ABC3G_LAGLA; ABC3G_MACFA; ABC3G_MACMU; ABC3G_MACNG; ABC3G_PANPA; ABC3G_PANTR; ABC3G_PAPAN; ABC3G_PONPY; ABC3G_SAGLB; MYH11_CHICK; MYH11_HUMAN; MYH11_MOUSE; MYH11_PIG; MYH11_RABIT; MYH11_RAT; MYH13_CANFA ChEBI
Therapy antineoplastic SMDC Pharmakon
Target DNA alkylator Selleck Chemicals
Patent Database Links EP1502604; EP1537858; EP1538164; EP1580188; EP1676576; EP1717247; EP1728863; EP1938798; EP1990342; US2002165218; US2005009845; US2005130980; US2005187267; US2006014755; US2006030555; US2006040958; US2006041131; US2006069103; US2006094706; US2006106023; US ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : T-8612; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
Indications ovarian cancer KeyOrganics Bioactives
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: T-8612; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

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