KEGG   COMPOUND: C07641Help
Entry
C07641                      Compound                               

Name
Thiotepa
Formula
C6H12N3PS
Exact mass
189.049
Mol weight
189.2183
Structure
Mol fileKCF fileDB search
Remark
Same as: D00583
Pathway
map05204  Chemical carcinogenesis
Brite
Carcinogens [BR:br08008]
 Group 1: Carcinogenic to humans
  Compounds
   C07641  Thiotepa
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AC Ethylene imines
     L01AC01 Thiotepa
      D00583  Thiotepa (JAN/USP/INN) <US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00583
BRITE hierarchy
Other DBs
CAS: 52-24-4
PubChem: 9843
ChEBI: 9570
ChEMBL: CHEMBL671
NIKKAJI: J2.307H
LinkDB All DBs
KCF data Show

ATOM        11
            1   P1a P    24.9258  -18.5335
            2   N1y N    26.3230  -18.5335
            3   N1y N    23.5287  -18.5277
            4   N1y N    24.9200  -17.1364
            5   S0  S    24.9200  -19.9365
            6   C1x C    27.5332  -19.2350
            7   C1x C    27.5272  -17.8320
            8   C1x C    22.3128  -17.8262
            9   C1x C    22.3185  -19.2350
            10  C1x C    25.6098  -15.9203
            11  C1x C    24.2068  -15.8680
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    6   7 1
            12    8   9 1
            13   10  11 1

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