Trimetrexate trihydrochloride

CAT: 0926-IRC52097-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-IRC52097-01Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1658520-97-8

MDL Number

MFCD09037336

Smiles

CC1=C (C=CC2=C1C (=NC (=N2) N) N) CNC3=CC (=C (C (=C3) OC) OC) OC.Cl.Cl.Cl

Molecular Formula

C19H26Cl3N5O3

Molecular Weight

478.8 g/mol

Controlled

Chemical Information

Trimetrexate trihydrochloride

CAS Number	1658520-97-8
PubChem CID	45006154
IUPAC Name	5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;trihydrochloride
Molecular Formula	C19H26Cl3N5O3
Molecular Weight	478.8
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	457

SMILES

CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.Cl.Cl.Cl

InChI

InChI=1S/C19H23N5O3.3ClH/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;;;/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);3*1H

InChIKey

ZNJRHEVYOYMEHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1658520-97-8

CID: 45006154

Formula: C19H26Cl3N5O3

MW: 478.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	478.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	477.110123
Monoisotopic Mass	477.110123
Topological Polar Surface Area	118 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	457
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TID40185-01	OTS186935 trihydrochloride
IUB14788-01	MCOPPB trihydrochloride
FZ28787-01	Zosuquidar trihydrochloride
YC181132-01	Chitotriose trihydrochloride
FS15836-01	Spermidine trihydrochloride
JSD69917-01	Mavorixafor trihydrochloride
OP166594-01	Paromamine trihydrochloride
WMB51860-01	LY2409881 trihydrochloride
QYB33348-01	GR 144053 Trihydrochloride
MVD51087-01	Bi-9321 trihydrochloride

Alternative Products

Catalog	Name
HY-10373A	Trimetrexate (trihydrochloride)
TRC-T798205-100MG	Trimetrexate
T63985-01	Trimetrexate glucuronate
A12796-5	Trimetrexate 5mg
HY-10373B	Trimetrexate (isethionate)
TRC-T798206-100MG	Trimetrexate-d9
A12796-50	Trimetrexate 50mg
HY-103396-01	Trimetrexate (glucuronate)
A12796-25	Trimetrexate 25mg
A12796-10	Trimetrexate 10mg

Trimetrexate trihydrochloride

Chemical Information

Related Products

Alternative Products

Popular Products