| Formula |
C21H22N4O6S |
| IUPAC Name |
(2s)-2-[[5-[methyl-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid |
| Molecular Mass |
458.488 g·mol−1 |
| Heat of Formation |
-903.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.07 ± 1.08 D |
| Volume |
517.48 Å 3 |
| Surface Area |
448.45 Å 2 |
| HOMO Energy |
-8.62 ± 0.55 eV |
| LUMO Energy |
1.97 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2s)-2-[[5-[(4-keto-2-methyl-1h-quinazolin-6-yl)methyl-methyl-amino]thiophene-2-carbonyl]amino]glutaric acid
- (2s)-2-[[5-[methyl-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methyl]amino]thiophen-2-yl]carbonylamino]pentanedioic acid
- (2s)-2-[[5-[methyl-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid
- (2s)-2-[[[5-[methyl-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methyl]amino]-2-thienyl]-oxomethyl]amino]pentanedioic acid
- (s)-2-[(1-{5-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-thiophen-2-yl}-methanoyl)-amino]-pentanedioic acid
- d 1694
- d-1694
- d01064
- d16
- d1694
- ici d1694
- ici-d-1694
- ici-d1694
- l-glutamic acid, n-((5-(((1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)methylamino)-2-thienyl)carbonyl)-
- n-(5-(n-(3,4-dihydro-2-methyl-4-oxoquinazolin-6-ylmethyl)-n-methylamino)-2-thenoyl)-l-glutamic acid
- raltitrexed (jan/usan/inn)
- tomudex
- zd 1694
- zd-1694
- zd1694
- zn-d1694
|
| CAS Number(s) |
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| InChIKey |
IVTVGDXNLFLDRM-HNNXBMFYSA-N |
| QR Code |
Generate QR Code |
| Links |
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
S
O
N
|
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